DDY

2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE

Created: 2004-04-19
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count2
Bond Count39
Aromatic Bond Count0
2D diagram of DDY

Chemical Component Summary

Name2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE
SynonymsDDCDP
Systematic Name (OpenEye OEToolkits)[(2S,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
FormulaC9 H15 N3 O9 P2
Molecular Weight371.178
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2
SMILESCACTVS3.370NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(O)=O)O2
SMILESOpenEye OEToolkits1.7.0C1CC(OC1COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
Canonical SMILESCACTVS3.370 NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O2
Canonical SMILESOpenEye OEToolkits1.7.0 C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChIInChI1.03 InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKeyInChI1.03 FVSQWXITYSICAK-POYBYMJQSA-N

Related Resource References

Resource NameReference
PubChem 656930
ChEMBL CHEMBL1232161