Structure database (LMSD)

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LM IDLMFA13010038
Common Name1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-β-D-glucopyranose
Systematic Name1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-β-D-glucopyranose
Synonyms-
Exact Mass
294.0951 (neutral)    Calculate m/z:
FormulaC11H18O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID56936273
InChIKeyKVRQQFBSAHPTAB-CQUMXOOTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11
-17H,1-3H2/t5-,6?,7+,8?,9?,11-/m0/s1
SMILES[C@H]1(O)C(O)C(O)[C@H](OC(C([C@@H](O)CO)=C)=O)OC1CO
StatusActive
ReferencesAstonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
260.33Topological Polar
Surface Area
158.98Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
9
 logP-1.47Molar
Refractivity
66.14