BUD

?

Summary

Name:(2S,3S)-butane-2,3-diol
Formula:C4 H10 O2
Formal charge:0
Molecular weight:90.121 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,3S)-butane-2,3-diol
OpenEye OEToolkits1.7.0(2S,3S)-butane-2,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C)C(O)C
SMILES_CANONICALCACTVS3.370C[C@H](O)[C@H](C)O
SMILESCACTVS3.370C[CH](O)[CH](C)O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H]([C@H](C)O)O
SMILESOpenEye OEToolkits1.7.0CC(C(C)O)O
InChIInChI1.03InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyInChI1.03OWBTYPJTUOEWEK-IMJSIDKUSA-N
171916
PDB entries from 2020-12-02