Structure Database (LMSD)
Common Name
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid
Systematic Name
(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid
Synonyms
- (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate
- (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate
- (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid
LM ID
LMFA01170074
Formula
Exact Mass
Calculate m/z
332.183505
Sum Composition
Status
Active
3D model of (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic 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)
DQIHPEKINXOMBM-WBMJQRKESA-N
InChi (Click to copy)
InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1
SMILES (Click to copy)
C(C(O)=O)[C@@](O)(C(O)=O)[C@@H](C(O)=O)CCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
338.97
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
2.79
Molar Refractivity
83.70
Admin
Created at
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Updated at
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