![C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 546.57 ib | - |
| Melting Point (Kev sim) | 111-112 ° C | Cov kuab tshuaj: Ethyl acetate |
| Ceev (Predicted) | 1.343 ± 0.06 g / cm3 | Kub: 20 ° C; Xov: 760 Torr |
| pKa (Predicted) | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI = 1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
InChI Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Lwm Lub Npe rau Cov Khoom no
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridine, 5′-O-[α, α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytrityl uridine; 5′-O-(4,4′-Dimethoxytrityl) uridine
| Cov khoom muaj |
| Kub |
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw | |
| Melting Point | 122-123 ° C | (1) CAS | ||
| Melting Point | 111-112 ° C | Solvent: | Ethyl acetate hmoov | (2) CAS |
| Melting Point | Saib Daim Ntawv Qhia Tag Nrho | (3) CAS | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Phau ntawv Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus
Spectra muaj
1 H NMR
13 C NMR
Pawg
| Cov khoom muaj |
| Tshuaj lom neeg |
| Tshuaj |
| Qhov ntom |
| Lipinski |
| Cov qauv ntsig txog |
Tshuaj lom neeg
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 904 ib | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 904 ib | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 904 ib | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 904 ib | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 904 ib | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 904 ib | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 900 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 861 ib | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 602 ib | pH 9; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 156 | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tshuaj
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 4 550 | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 4 550 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 4 550 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 4 550 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 4 550 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | ib 4540 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | ib 4520 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | ib 4330 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 3 030 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 785 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 4.17 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 4.02 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 3.43 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 4.192 ± 0.628 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.2 x 10-4 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Loj Solubility | 3.3 x 10-4 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.8 x 10-4 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.9 x 10-3 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.2 x 10-4 g / L | Unbuffered Dej pH 6.99; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 5.8 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.1 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.7 x 10-7 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.4 x 10-6 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.8 x 10-7 mol / L | Unbuffered Dej pH 6.99; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 546.57 ib | ||
| pKa | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qhov ntom
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Qhov ntom | 1.343 ± 0.06 g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 406.9 ± 3.0 cm3 / mol | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 11 | (1) ACD | |
| H Txais | 10 | (1) ACD | |
| H Pub | 3 | (1) ACD | |
| H Pub/Acceptor Sum | 13 | (1) ACD | |
| logP | 4.192 ± 0.628 | Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molecular Luj | 546.57 ib | ||
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Polar Surface Area | 127 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
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