UOB
Summary
Name: | 2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate) |
Formula: | C11 H17 N2 O10 P |
Formal charge: | 0 |
Formula weight: | 368.234 Da |
Component type: | RNA linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | [(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,4-dimethoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(OC(C(C1OC)O)(COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11+/m1/s1 |
InChIKey | InChI | 1.03 | PQPFDVLUCHRYPP-LOKLDPHHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@@](CO[P](O)(O)=O)(OC)O[C@H]1N2C=CC(=O)NC2=O |
SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COC1C(C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O |