Structure Database (LMSD)
Common Name
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Systematic Name
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Synonyms
3D model of (2S,3R)-3-hydroxybutane-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)
HHKPKXCSHMJWCF-WVBDSBKLSA-N
InChi (Click to copy)
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
SMILES (Click to copy)
C(C(O)=O)[C@H](C(O)=O)[C@@](O)(C(O)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
183.27
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
-0.72
Molar Refractivity
42.15
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Created at
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Updated at
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