9QG
Summary
Name: | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside |
Synonyms: | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside methyl 3-O-[(1R)-1-carboxyethyl]-D-galactoside; methyl 3-O-[(1R)-1-carboxyethyl]-galactoside |
Formula: | C10 H18 O8 |
Formal charge: | 0 |
Formula weight: | 266.245 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside |
OpenEye OEToolkits | 2.0.6 | (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
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | PXMURYZLIUEKLA-BEESJRNYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1O |
SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)OC1C(C(OC(C1O)OC)CO)O |