C45

?

Summary

Name:N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O8 P
Formal charge:0
Molecular weight:337.223 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341CONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
SMILESCACTVS3.341CONC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
SMILES_CANONICALOpenEye OEToolkits1.5.0CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0CONC1=NC(=O)N(C=C1)C2CC(C(O2)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKeyInChI1.03GCOHQLVAXYZLMM-LKEWCRSYSA-N
167518
PDB entries from 2020-08-12