YYY

DEOXYCYTIDINE DIPHOSPHATE

Created:2006-08-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count4
Bond Count40
Aromatic Bond Count0
2D diagram of YYY

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Chemical Component Summary

NameDEOXYCYTIDINE DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
FormulaC9 H15 N3 O10 P2
Molecular Weight387.177
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O
Canonical SMILESCACTVS3.341 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P](O)(O)=O)O2
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyInChI1.03 FTDHDKPUHBLBTL-SHYZEUOFSA-N

Related Resource References

Resource NameReference
PubChem 150855
ChEBI CHEBI:28846