16B
Summary
Name: | N-hydroxycytidine 5'-(dihydrogen phosphate) |
Formula: | C9 H14 N3 O9 P |
Formal charge: | 0 |
Formula weight: | 339.196 Da |
Component type: | RNA linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-hydroxycytidine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[4-(oxidanylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O |
InChI | InChI | 1.03 | InChI=1S/C9H14N3O9P/c13-6-4(3-20-22(17,18)19)21-8(7(6)14)12-2-1-5(11-16)10-9(12)15/h1-2,4,6-8,13-14,16H,3H2,(H,10,11,15)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | DYOUVDKCXLKHKY-XVFCMESISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.385 | ONC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1NO)C2C(C(C(O2)COP(=O)(O)O)O)O |