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Summary

Name:2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
Formula:C9 H14 N3 O6 P S
Formal charge:0
Molecular weight:323.263 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-5'-O-thiophosphonocytidine
OpenEye OEToolkits1.5.04-amino-1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)O
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=S)O2
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=S)O2
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)O)O
InChIInChI1.03InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
InChIKeyInChI1.03FHBXKBNKQMSUIJ-SHYZEUOFSA-N