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
Main
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
References
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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