RY
Summary
Name: | 5'-3,6-dihydrocytidylic acid |
Formula: | C9 H16 N3 O8 P |
Formal charge: | 0 |
Formula weight: | 325.212 Da |
Component type: | RNA linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5'-3,6-dihydrocytidylic acid |
OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | NWPXZYGTNOANAA-XVFCMESISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N |