C6B

?

Summary

Name:[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Formula:C9 H14 N3 O8 P
Formal charge:0
Molecular weight:323.197 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)pyrimidin-2(1H)-one
OpenEye OEToolkits1.5.0[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO
SMILES_CANONICALCACTVS3.341NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](CO)[C@@H](O[P](O)(O)=O)[C@H]2O
SMILESCACTVS3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
InChIInChI1.03InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1
InChIKeyInChI1.03UOOOPKANIPLQPU-IHBLQFBFSA-N
170383
PDB entries from 2020-10-28