9QG

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Summary

Name:methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Formula:C10 H18 O8
Formal charge:0
Molecular weight:266.245 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
OpenEye OEToolkits2.0.6(2~{R})-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
InChIInChI1.03InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
InChIKeyInChI1.03PXMURYZLIUEKLA-BEESJRNYSA-N
SMILES_CANONICALCACTVS3.385CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1O
SMILESCACTVS3.385CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O
SMILESOpenEye OEToolkits2.0.6CC(C(=O)O)OC1C(C(OC(C1O)OC)CO)O