Structure Database (LMSD)
Common Name
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
Systematic Name
(Z,7R,8S)-7,8-dihydroxyoctadec-9-enoic acid
Synonyms
- AC1NQXX5
- C07355
- (Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate
- (Z)-(7S,8S)-Dihydroxyoctadeca-9-enoic acid
- (Z,7R,8S)-7,8-dihydroxyoctadec-9-enoic acid
LM ID
LMFA01050451
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active
3D model of (9Z)-(7S,8S)-Dihydroxyoctadecenoic 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
String Representations
InChiKey (Click to copy)
WBZXABQRBWTVNN-JINBKUQRSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17+/m0/s1
SMILES (Click to copy)
O[C@@H]([C@H](/C=C\CCCCCCCC)O)CCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.62
Molar Refractivity
90.89
Admin
Created at
-
Updated at
-