Structure Database (LMSD)
Common Name
Japanic acid
Systematic Name
Heneicosa-1,21-dioic acid
Synonyms
- Heneicosanedioic acid
- Japonic acid
LM ID
LMFA01170036
Formula
Exact Mass
Calculate m/z
356.29266
Sum Composition
Status
Active
3D model of Japanic 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)
PWLXTFFHCFWCGG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
401.74
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.57
Molar Refractivity
102.99
Admin
Created at
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Updated at
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