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EDC

Summary
Name:N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
Synonyms:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
Formula:C11 H14 N3 O7 P
Formal charge:0
Formula weight:331.219 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
OpenEye OEToolkits1.7.6[(2R,3S,5R)-3-oxidanyl-5-(5-oxidanylideneimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O
InChIInChI1.03InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1
InChIKeyInChI1.03GFTHJCBXWZWVBW-QXFUBDJGSA-N
SMILES_CANONICALCACTVS3.370O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Cc3nccn3C2=O
SMILESCACTVS3.370O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3nccn3C2=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.6c1cn2c(n1)C=CN(C2=O)C3CC(C(O3)COP(=O)(O)O)O

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PDB entries from 2024-07-17

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