U56
Summary
| Name: | N-hydroxycytidine |
| Formula: | C9 H13 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 259.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-hydroxycytidine |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(oxidanylamino)pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ONC1=NC(=O)N(C=C1)C1OC(CO)C(O)C1O |
| InChI | InChI | 1.06 | InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.06 | XCUAIINAJCDIPM-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)NO |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1NO)C2C(C(C(O2)CO)O)O |
