Structure Database (LMSD)
Common Name
9,10-epoxystearic acid
Systematic Name
9,10-epoxyoctadecanoic acid
Synonyms
- 9(10)-EpODA
3D model of 9,10-epoxystearic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arachis hypogaea
(#3818)
Magnoliopsida
(#3398)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998
Nat Prod Rep, 1998
DOI:
10.1039/A815607Y
String Representations
InChiKey (Click to copy)
IMYZYCNQZDBZBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC1OC1CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
331.33
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.89
Molar Refractivity
87.63
Admin
Created at
-
Updated at
18th Nov 2024