![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI) Umfanekiso okhoyo](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Inombolo yoBhaliso yeCAS
251647-53-7
H302
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 932.01 | - |
| pKa (Kuxelwe kwangaphambili) | 7.87±0.43 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
Isomeric UNCUMA
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 =CC=C(OC)C=C5)(C6=CC =C(OC)C=C6)C7=CC=CC=C7
InChi
InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1
Isitshixo se-InchI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Amanye Amagama ale nto
Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
phosphoramidite] (9CI);16: PN: US20030211606 IPHEPHA: I-19 ibango lolandelelwano;16: PN: US20030212017 IPHEPHA: 20 ibango lolandelelwano;17: PN: US20040005569 IPHEPHA: 22 ibango lolandelelwano;19: PN: US20040006030 IPHEPHA: 23 ibango lolandelelwano;19: PN: US20040014047
IPHEPHA: 21 ibango lolandelelwano;19: PN: US20040014049 IPHEPHA: 21 ibango lolandelelwano;20: PN: US20040005570 IPHEPHA: 20 ibango
ulandelelwano20: PN: US20040014048 IPHEPHA: 21 ibango lolandelelwano;20: PN: US20040014050 IPHEPHA: 20 ibango lolandelelwano;21: PN: U
S20040005565 IPHEPHA: 17- 22 ibango lolandelelwano;21: PN: US20040014051 IPHEPHA: 23 ibango lolandelelwano;22: PN: US20040014699 IPHEPHA: 20 ibango lolandelelwano;23: PN: US20040006029 IPHEPHA: 23 ibango lolandelelwano;23: PN: WO03106645 IPHEPHA: 73 ibango lolandelelwano;94: P N: US20040005707 IPHEPHA: 20 ibango lolandelelwano
ISpectra ekhoyo
1 H NMR
13 C NMR
Hetero NMR
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo oluNxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 2680 | pH 1;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 71500 | pH 2;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 7.21 x 105 | pH 3;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 4;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 8.48 x 105 | pH 8;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.39 x 105 | pH 9;Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 40300 | pH 10;Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 1360 | pH 1;Ubushushu: 25 °C | (1) ACD |
| Koc | 36300 | pH 2;Ubushushu: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3;Ubushushu: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 1.42 x 106 | pH 5;Ubushushu: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6;Ubushushu: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7;Ubushushu: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8;Ubushushu: 25 °C | (1) ACD |
| Koc | 70800 | pH 9;Ubushushu: 25 °C | (1) ACD |
| Koc | 20500 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logD | 5.77 | pH 1;Ubushushu: 25 °C | (1) ACD |
| logD | 7.20 | pH 2;Ubushushu: 25 °C | (1) ACD |
| logD | 8.20 | pH 3;Ubushushu: 25 °C | (1) ACD |
| logD | 8.69 | pH 4;Ubushushu: 25 °C | (1) ACD |
| logD | 8.79 | pH 5;Ubushushu: 25 °C | (1) ACD |
| logD | 8.79 | pH 6;Ubushushu: 25 °C | (1) ACD |
| logD | 8.71 | pH 7;Ubushushu: 25 °C | (1) ACD |
| logD | 8.27 | pH 8;Ubushushu: 25 °C | (1) ACD |
| logD | 7.49 | pH 9;Ubushushu: 25 °C | (1) ACD |
| logD | 6.95 | pH 10;Ubushushu: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 5.4 x 10-5 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.051 g/L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.9 x 10-3 g/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.9 x 10-4 g/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 6.0 x 10-5 g/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.8 x 10-5 g/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.8 x 10-5 g/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.8 x 10-5 g/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.6 x 10-4 g/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 9.3 x 10-4 g/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 3.6 x 10-3 g/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 5.7 x 10-5 g/L | Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 5.8 x 10-8 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 5.5 x 10-5 mol / L | pH 1;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.0 x 10-6 mol/L | pH 2;Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 2.0 x 10-7 mol/L | pH 3;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.4 x 10-8 mol/L | pH 4;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 5.1 x 10-8 mol/L | pH 5;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 5.1 x 10-8 mol/L | pH 6;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.2 x 10-8 mol/L | pH 7;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.7 x 10-7 mol/L | pH 8;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.0 x 10-6 mol/L | pH 9;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.9 x 10-6 mol/L | pH 10;Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.1 x 10-8 mol/L | Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 932.01 | ||
| pKa | 7.87±0.43 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 22 | (1) ACD | |
| H Abamkeli | 16 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 17 | (1) ACD | |
| logP | 8.803±0.766 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 932.01 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Umthombo wemeko |
| Indawo yePolar Surface | 187 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1 H NMR
13 C NMR
| Umthombo weNgxelo yoBubungozi beKhowudi | |
| H302 Kuyingozi ukuba iginyiwe | UHlelo lwe-Arhente yeMichiza yaseYurophu (ECHA) kunye nokuFakwa kweLebhile I-Inventory - Ukuhlelwa kokwaziswa kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibhelishwa - ezona zaziso zinobuzaza |
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