Structure Database (LMSD)
Common Name
Sativic acid
Systematic Name
9,10,12,13-tetrahydroxy-octadecanoic acid
Synonyms
- Sativinic acid
- Santivinic acid
LM ID
LMFA02000148
Formula
Exact Mass
Calculate m/z
348.25119
Sum Composition
Status
Active
3D model of Sativic 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)
VJOGZGLNDROOFS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O6/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24)
SMILES (Click to copy)
C(O)(CC(O)C(O)CCCCC)C(O)CCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
370.06
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
3.36
Molar Refractivity
94.79
Admin
Created at
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Updated at
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