Structure Database (LMSD)
Common Name
(R) 2,3-Dihydroxy-3-methylvalerate
Systematic Name
(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
Synonyms
3D model of (R) 2,3-Dihydroxy-3-methylvalerate
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)
PDGXJDXVGMHUIR-UJURSFKZSA-N
InChi (Click to copy)
InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
SMILES (Click to copy)
[C@](O)(C)(CC)[C@@H](O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
144.88
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
0.17
Molar Refractivity
35.58
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Created at
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Updated at
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