![C40H49N4O9P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl)phosphoramidite] (ACI) Featured duab](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
CAS Registry Number
110764-79-9
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej | |
| Molecular Luj | 760.81 ib | - | |
| pKa (Predicted) | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
N#CCCOP(OC(N2C=CC(=O)NC2=O)C1OC)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](O1)N2C(=O)NC(=O)C=C2)C(C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=CC=C4)
InChI
InChI = 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7)43-24-22-35(45)462-39(45)462-39(45)462-39 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,361,3H 3
(H, 42, 45, 46) /t34-,36-,37-,38-,54?/m1/s1
InChI Key
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Lwm Lub Npe rau Cov Khoom no
Uridine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramide] (9CI)
Spectra muaj
Pawg
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Lipinski
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 254 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2050 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 15400 Nws | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 4 6000 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 5 7500 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 5 8900 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 5 8900 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 5 6800 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 4 2300 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 12200 Nws | 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 | 389 ib | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 3 140 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 23 600 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 7 0500 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 8810 0 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 9 0300 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 9 0200 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 8 7100 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 6 4800 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 18700 Nws | pH 10; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| logD | 4.21 | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 5.12 | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 6.00 Nws | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 6.47 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 6.57 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 6.58 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 6.58 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 6.56 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 6.44 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 5.90 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 6.581 ± 0.646 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 8.4 x 10-5 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.019 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.4 x 10-3 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.1 x 10-4 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1 x 10-4 g/L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.4 x 10-5 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.4 x 10-5 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.4 x 10-5 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.4 x 10-5 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1 x 10-4 g/L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.0 x 10-4 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.4 x 10-5 g / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.5 x 10-5 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.1 x 10-6 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.1 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 1.5 x 10-7 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.2 x 10-7 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 760.81 ib | ||
| pKa | 9.39 ± 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 | 18 | (1) ACD | |
| H Txais | 13 | (1) ACD | |
| H Pub | 1 | (1) ACD | |
| H Pub/Acceptor Sum | 14 | (1) ACD | |
| logP | 6.581 ± 0.646 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 760.81 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 | 155A 2 | (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 | Nqe Lus Tshaj Tawm Txog Hazard | Qhov chaw |
| H335 | Tej zaum yuav ua rau ua pa ua pa | Kws muaj txuj Curated |
| H331 | Toxic yog nqus tau | Kws muaj txuj Curated |
| H319 | Ua rau mob qhov muag loj | Kws muaj txuj Curated |
| H315 | Ua rau tawv nqaij khaus | Kws muaj txuj Curated |
| Code | Nqe Lus Tshaj Tawm Txog Hazard | Qhov chaw |
| H311 | Toxic nyob rau hauv kev sib cuag nrog daim tawv nqaij | Kws muaj txuj Curated |
| H301 + H311 + H331 | Toxic yog nqos, sib cuag nrog daim tawv nqaij los yog nqus tau pa | Kws muaj txuj Curated |
| H301 | Toxic yog nqos | Kws muaj txuj Curated |
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