73W
Summary
| Name: | 5'-O-[(dithiophosphono)]cytidine |
| Formula: | C9 H14 N3 O6 P S2 |
| Formal charge: | 0 |
| Formula weight: | 355.328 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-O-[(dithiophosphono)]cytidine |
| OpenEye OEToolkits | 2.0.5 | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[oxidanyl(sulfanyl)phosphinothioyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N)C=CN1C2C(C(C(O2)COP(=S)(O)S)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O6PS2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(18-8)3-17-19(16,20)21/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,20,21)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | GHDZYAHUSKICEF-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(S)=S)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(S)=S)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)S)O)O |
