![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Umfanekiso ofakiweyo](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 721.80 | - |
| Indawo yokunyibilika (yoMfuniselo) | 107-110 °C | - |
| Ukuxinana (Kuqikelelwe) | 1.26±0.1 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 8.60±0.40 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomeric UNCUMA
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChi
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Isitshixo se-InchI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Amanye Amagama ale Nxibelelwano
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);10: PN: WO03084478 IPHEPHA: 57 ibango leRNA;12: PN: US20030170636 IPHEPHA: I-17 ibango i-R NA;13: PN: US20030212017 IPHEPHA: I-19 ibango i-R NA;14: PN: US20030
211606 IPHEPHA: 19 ibango i-R NA;15: PN: US20040005569 IPHEPHA: 22 ibango i-R NA;16: PN: US20040006030 IPHEPHA: 22 ibango i-R NA;16: PN: US20040014048 IPHEPHA: 20 ibango le-R NA;17: PN: US20030171313 IPHEPHA: 9 ibango i-R NA;17: PN: US20040005565 IPHEPHA: 17- 22 ibango le-RNA;17: PN: US20040005570 IPHEPHA: 20 ibango le-R NA;17: PN: US20040014047 IPHEPHA: 20 ibango i-R NA;17: PN: US20040 014050 IPHEPHA: 20 ibango le-R NA;18: PN: US20030198965 IPHEPHA: I-19 ibango i-R NA;18: PN: US20040014699 IPHEPHA: 20 ibango le-R NA;19: PN: US20040006029 IPHEPHA: 23 ibango i-R NA;19: PN: WO03106645 IPHEPHA: 71 ibango iR NA;59: PN: US20030166592 IPHEPHA: I-15 ibango le-RNA;6: PN: WO2005006958 IPHEPHA: 62 ibango i-R NA;83: PN: US20040171566 IPHEPHA: I-18 ibango i-R NA;8: PN: WO2005007825
IPHEPHA: 62 ibango i-R NA;90: PN: US20040005707 IPHEPHA: 20 ibango le-R NA;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Iipropati ezikhoyo |
| Thermal |
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokunyibilika | 107-110 °C | (1) I-CAS | |
(1) ePenjarla, eSrishylam;IiNucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
ISpectra ekhoyo
1H NMR
13C NMR
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo oluNxulumeneyo |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 291 | pH 1;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 644 | pH 2;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 3690 | pH 3;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 15600 | pH 4;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 23700 | pH 5;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 24800 | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 23300 | pH 7;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 14100 | pH 8;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 3010 | pH 9;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 558 | pH 10;Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 569 | pH 1;Ubushushu: 25 °C | (1) ACD |
| Koc | 1260 | pH 2;Ubushushu: 25 °C | (1) ACD |
| Koc | 7210 | pH 3;Ubushushu: 25 °C | (1) ACD |
| Koc | 30400 | pH 4;Ubushushu: 25 °C | (1) ACD |
| Koc | 46300 | pH 5;Ubushushu: 25 °C | (1) ACD |
| Koc | 48500 | pH 6;Ubushushu: 25 °C | (1) ACD |
| Koc | 45500 | pH 7;Ubushushu: 25 °C | (1) ACD |
| Koc | 27500 | pH 8;Ubushushu: 25 °C | (1) ACD |
| Koc | 5890 | pH 9;Ubushushu: 25 °C | (1) ACD |
| Koc | 1090 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logD | 4.16 | pH 1;Ubushushu: 25 °C | (1) ACD |
| logD | 4.50 | pH 2;Ubushushu: 25 °C | (1) ACD |
| logD | 5.26 | pH 3;Ubushushu: 25 °C | (1) ACD |
| logD | 5.88 | pH 4;Ubushushu: 25 °C | (1) ACD |
| logD | 6.07 | pH 5;Ubushushu: 25 °C | (1) ACD |
| logD | 6.09 | pH 6;Ubushushu: 25 °C | (1) ACD |
| logD | 6.06 | pH 7;Ubushushu: 25 °C | (1) ACD |
| logD | 5.84 | pH 8;Ubushushu: 25 °C | (1) ACD |
| logD | 5.17 | pH 9;Ubushushu: 25 °C | (1) ACD |
| logD | 4.44 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 1.3 x 10-4 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.011 g/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.0 x 10-3 g/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 8.7 x 10-4 g/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.1 x 10-4 g/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kobuninzi | 1.4 x 10-4 g/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.3 x 10-4 g/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.4 x 10-4 g/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.3 x 10-4 g/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.1 x 10-3 g/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-3 g/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.4 x 10-4 g/L | Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-5 mol / L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.9 x 10-6 mol/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.2 x 10-6 mol / L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.9 x 10-7 mol/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.9 x 10-7 mol/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.9 x 10-7 mol/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.2 x 10-7 mol/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-6 mol / L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 8.0 x 10-6 mol/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.9 x 10-7 mol/L | Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 721.80 | ||
| pKa | 8.60±0.40 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.26±0.1 g/cm3 | Ubushushu: 20 °C;Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 572.5±7.0 cm3/mol | Ubushushu: 20 °C;Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 15 | (1) ACD | |
| Ipropati | Ixabiso | Imeko | Umthombo |
| H Abamkeli | 12 | (1) ACD | |
| H Abaxhasi | 2 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
| logP | 6.093±0.720 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 721.80 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo oluNxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 137 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
| Ikhowudi | Ingxelo yobungozi | Umthombo |
| H335 | Inokubangela ukucaphuka kokuphefumla | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H319 | Ibangela ukucaphuka kwamehlo okunzulu | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H315 | Ibangela ukucaphuka kwesikhumba | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
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