A1BBB
Summary
| Name: | 5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) |
| Synonyms: | 5-(hydroxymethyl)uridine 5'-monophosphate |
| Formula: | C10 H15 N2 O10 P |
| Formal charge: | 0 |
| Formula weight: | 354.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)OCC1OC(N2C=C(CO)C(=O)NC2=O)C(O)C1O |
| InChI | InChI | 1.06 | InChI=1S/C10H15N2O10P/c13-2-4-1-12(10(17)11-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h1,5-7,9,13-15H,2-3H2,(H,11,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | WQCABYUOJVUOEC-JXOAFFINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | OCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)CO |
