Structure Database (LMSD)
Common Name
methyl 9-(alpha-D-galactosyloxy)nonanoate
Systematic Name
methyl 9-(α-D-galactopyranosyloxy)nonanoate
Synonyms
- 9-(methoxycarbonyl)nonyl alpha-D-galactoside
3D model of methyl 9-(alpha-D-galactosyloxy)nonanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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