Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA13030010
Common Name3-O-α-L-rhamnopyranosyl-3-hydroxyoctanoyl-3-hydroxydecanoic acid
Systematic Name3-O-α-L-rhamnopyranosyl-3-hydroxyoctanoyl-3-hydroxydecanoic acid
Synonyms-
Exact Mass
476.2985 (neutral)    Calculate m/z:
FormulaC24H44O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID101354481
InChIKeyBUOVURSHNWNFHV-ADJCYOJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C24H44O9/c1-4-6-8-9-11-13-17(14-19(25)26)32-20(27)15-18(12-10-7-5-2)33-24-23(30)22(29)21(28)16(3)31-24/h16-18,21-24,28-30H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18?,21-,22+,23+,24-/m0/s1
Click to highlight InChI
SMILES
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCC)CC(=O)OC(CCCCCCC)CC(=O)O
Click to highlight SMILES
StatusActive
ReferencesCharacterization of a New Mixture of Mono-Rhamnolipids Produced by Pseudomonas gessardii Isolated From Edmonson Point (Antarctica)
Mar Drugs. 2020
DOI: 10.3390/md18050269
PMID: 32443698
Calculated physicochemical properties (?):
 Heavy Atoms33Rings1Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
485.23Topological Polar
Surface Area
144.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP4.92Molar
Refractivity
125.08