Structure Database (LMSD)

HO O OH HO OH O O O
Common Name
methyl 9-(alpha-D-galactosyloxy)nonanoate
Systematic Name
methyl 9-(α-D-galactopyranosyloxy)nonanoate
Synonyms
  • 9-(methoxycarbonyl)nonyl alpha-D-galactoside
LM ID
LMFA13010150
Formula
C16H30O8
Exact Mass
Calculate m/z
350.19407
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
ZJZBQHWSENWEMY-CHUNWDLHSA-N
InChi (Click to copy)
InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16+/m1/s1
SMILES (Click to copy)
C(OC)(=O)CCCCCCCCO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1

References

Other Databases

CHEBI ID
63176
PubChem CID
56927796

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 340.68
Topological Polar Surface Area 127.75
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 1.71
Molar Refractivity 87.59

Admin

Created at
-
Updated at
14th Jan 2021