CFZ

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Summary

Name:2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
Formula:C9 H13 F N3 O7 P
Formal charge:0
Molecular weight:325.188 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.012'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.7.0[(2R,3R,4R,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O
SMILES_CANONICALCACTVS3.370NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2F
SMILESCACTVS3.370NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F
SMILES_CANONICALOpenEye OEToolkits1.7.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F
SMILESOpenEye OEToolkits1.7.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)F
InChIInChI1.03InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03KTAATIGPZHTGOP-XVFCMESISA-N
169117
PDB entries from 2020-09-23