RPC
Summary
Name: | cytidine 3',5'-bis(dihydrogen phosphate) |
Formula: | C9 H15 N3 O11 P2 |
Formal charge: | 0 |
Formula weight: | 403.176 Da |
Component type: | RNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | cytidine 3',5'-bis(dihydrogen phosphate) |
OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(14)11-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H2,10,11,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | MVGIITUCOOTSAP-XVFCMESISA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]2O |
SMILES | CACTVS | 3.370 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O |