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Summary

Name:5'-3,6-dihydrocytidylic acid
Formula:C9 H16 N3 O8 P
Formal charge:0
Molecular weight:325.212 Da
Component type:RNA linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.015'-3,6-dihydrocytidylic acid
OpenEye OEToolkits2.0.6[(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

TypeProgramVersionDescriptor
SMILESACDLabs12.01P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O
InChIInChI1.03InChI=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
InChIKeyInChI1.03NWPXZYGTNOANAA-XVFCMESISA-N
SMILES_CANONICALCACTVS3.385NC1=CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
SMILESCACTVS3.385NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits2.0.6C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
SMILESOpenEye OEToolkits2.0.6C1C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N
169117
PDB entries from 2020-09-23