Structure Database (LMSD)

Systematic Name
6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-β-D-glucopyranose
Synonyms
LM ID
LMSL05000003
Status
Active
Exact Mass
Calculate m/z
294.095085
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FMHJNIRDGYFPEC-WYFQEVEQSA-N
InChi (Click to copy)
InChI=1S/C11H18O9/c1-4(5(13)2-12)10(17)19-3-6-7(14)8(15)9(16)11(18)20-6/h5-9,11-16,18H,1-3H2/t5-,6?,7+,8?,9?,11+/m0/s1
SMILES (Click to copy)
[C@H]1(O)C(O)C(O)[C@H](O)OC1COC(C([C@@H](O)CO)=C)=O

References

Reference
Astonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Persoonia linearis (#488382)
Magnoliopsida (#3398)
Astonishing diversity of natural surfactants: 1. Glycosides of fatty acids and alcohols.,
Lipids, 2004
Pubmed ID: 15691016

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 260.33
Topological Polar Surface Area 158.98
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP -1.47
Molar Refractivity 66.14

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Updated at
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