CFV

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Summary

Name:[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
Formula:C8 H14 N3 O6 P
Formal charge:0
Molecular weight:279.187 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{[(1R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
OpenEye OEToolkits1.5.0[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(C=CN1CC(OCP(=O)(O)O)CO)N
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C[C@H](CO)OC[P](O)(O)=O)C=C1
SMILESCACTVS3.341NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
InChIInChI1.03InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m1/s1
InChIKeyInChI1.03VWFCHDSQECPREK-ZCFIWIBFSA-N
167132
PDB entries from 2020-07-29