C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- imethylethyl)phosphor amidite] (ACI)
Inombolo yoBhaliso yeCAS
163878-63-5
H302
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 818.89 | - |
pKa (Kuxelwe kwangaphambili) | 9.55±0.10 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)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(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChi
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25- 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Isitshixo se-InchI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Amanye Amagama ale Nxibelelwano
Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor
amidite] (9CI); 10: PN: US20030212017 IPHEPHA: I-18 ibango le-RNA; 11: PN: US20030211606 IPHEPHA: I-18 ibango le-RNA; 13: PN: US20040
005569 IPHEPHA: 21 ibango leRNA; 13: PN: US20040006030 IPHEPHA: 22 ibango leRNA; 13: PN: US20040014048 IPHEPHA: I-19 ibango le-RNA; 13: PN: US20040014049 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20030198965 IPHEPHA: I-19 ibango iRNA; 14: PN: US20040005565 IPHEPHA: 17- 22 ibango le-RNA; 14: PN: US20040005570 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20040014047 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20040
014699 IPHEPHA: I-19 ibango le-RNA; 15: PN: US20040014050 IPHEPHA: I-19 ibango le-RNA; 15: PN: US20040014051 IPHEPHA: I-21 ibango le-RNA; 15:
PN: WO03106645 IPHEPHA: 69 ibango le-RNA; 16: PN: US20040006029 IPHEPHA: 22 ibango leRNA; 87: PN: US20040005707 IPHEPHA: I-19 ibango le-RNA
ISpectra ekhoyo
1 H NMR
13 C NMR
Hetero NMR
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo
Ipropati | Ixabiso | Imeko | Umthombo |
I-Bioconcentration Factor | 348 | pH 1; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2810 | pH 2; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 21100 | pH 3; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 63100 | pH 4; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 78800 | pH 5; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 80800 | pH 6; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 80800 | pH 7; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 78800 | pH 8; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 63400 | pH 9; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 21800 | 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 | 487 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 1.10 x 105 | pH 5; Ubushushu: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Ubushushu: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Ubushushu: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Ubushushu: 25 °C | (1) ACD |
logP | 6.761±0.669 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 2.0 x 10-4 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.046 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.7 x 10-3 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 7.6 x 10-4 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.5 x 10-4 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.0 x 10-4 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.0 x 10-4 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.0 x 10-4 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.0 x 10-4 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.5 x 10-4 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 7.4 x 10-4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.0 x 10-4 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 2.4 x 10-7 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 5.6 x 10-5 mol / L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 7.0 x 10-6 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Ukunyibilika kweMolar | 9.3 x 10-7 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 3.1 x 10-7 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.5 x 10-7 mol / L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.4 x 10-7 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.4 x 10-7 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.5 x 10-7 mol / L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 3.1 x 10-7 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 9.0 x 10-7 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.4 x 10-7 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 818.89 | ||
pKa | 9.55±0.10 | Owona bushushu be-Acidic 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 | 21 | (1) ACD | |
H Abamkeli | 14 | (1) ACD | |
H Abaxhasi | 1 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 15 | (1) ACD | |
logP | 6.761±0.669 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 818.89 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Umthombo wemeko |
Indawo yePolar Surface | 164 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
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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 |