![C43H55N4O10P Uridine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′- [2-cyanoethyl N, N-bis(1- methylethyl phosphor amidite (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′- [2-cyanoethyl N, N-bis(1- methylethyl)phosphor amidite] (ACI) Featured duab](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine.png)
C43H55N4O10P Uridine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′- [2-cyanoethyl N, N-bis(1- methylethyl phosphor amidite (ACI)
CAS Registry Number
163878-63-5
H302
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 818.89 ib | - |
| pKa (Predicted) | 9.55 ± 0.10 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
N#CCCOP(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 SMILES
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
InChI Key
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Lwm lub npe rau cov khoom no
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 PAGE: 18 thov RNA; 11: PN: US20030211606 PAGE: 18 thov RNA; 13: PIB: US20040
005569 PAGE: 21 thov RNA; 13: PN: US20040006030 PAGE: 22 thov RNA; 13: PN: US20040014048 PAGE: 19 thov RNA; 13: PN: US20040014049 PAGE: 19 thov RNA; 14: PN: US20030198965 PAGE: 19 thov RNA; 14: PN: US20040005565 PAGE: 17- 22 thov RNA; 14: PN: US20040005570 PAGE: 19 thov RNA; 14: PN: US20040014047 PAGE: 19 thov RNA; 14: PIB: US20040
014699 PAGE: 19 thov RNA; 15: PN: US20040014050 PAGE: 19 thov RNA; 15: PN: US20040014051 PAGE: 21 thov RNA; 15:
PN: WO03106645 PAGE: 69 thov RNA; 16: PN: US20040006029 PAGE: 22 thov RNA; 87: PN: US20040005707 PAGE: 19 thov RNA
Spectra muaj
1 H NMR
13 C NMR
Hetero NMR
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Lipinski
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 348 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2810 ib | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 21 100 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 63100 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 78800 ua | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8 0800 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8 0800 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 78800 ua | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 63400 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 21 800 | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 487 ib | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | ib 3940 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 2 9600 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 8840 0 | pH 4; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 1.10 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 1.13 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 1.13 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 1.10 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 8 8800 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 3 0600 | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 4.39 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 5.30 Nws | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 6.18 | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 6.65 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 6.75 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 6.76 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 6.76 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 6.75 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 6.65 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 6.19 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 6.761 ± 0.669 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 2.0 x 10-4 g/L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.046 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.7 x 10-3 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 7.6 x 10-4 g/L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.5 x 10-4 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.0 x 10-4 g/L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.0 x 10-4 g/L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.0 x 10-4 g/L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.0 x 10-4 g/L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.5 x 10-4 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 7.4 x 10-4 g / L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.0 x 10-4 g/L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 2.4 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.6 x 10-5 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 7.0 x 10-6 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 9.3 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 9.0 x 10-7 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 818.89 ib | ||
| pKa | 9.55 ± 0.10 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 3.45 ± 0.70 | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 21 | (1) ACD | |
| H Txais | 14 | (1) ACD | |
| H Pub | 1 | (1) ACD | |
| H Pub/Acceptor Sum | 15 | (1) ACD | |
| logP | 6.761 ± 0.669 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 818.89 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Cov xwm txheej Source |
| Polar Surface Area | 164 A2 | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
| Code Hazard Statement Source | |
| H302 Ua phem yog tias nqos | European Chemical Agency (ECHA) Classification & Labelling Cov Khoom Muag - Cov ntawv ceeb toom kev faib tawm thiab kev sau npe - cov ntawv ceeb toom feem ntau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Ceeb toom kev faib tawm thiab sau npe - cov ntawv ceeb toom loj tshaj plaws |
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