Structure Database (LMSD)
Common Name
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
Systematic Name
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one
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)
AAMXRZJYSRMQQF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O4/c1-4-3-11-6(9)7(4,10)5(2)8/h4-5,8,10H,3H2,1-2H3
SMILES (Click to copy)
C1(C)COC(=O)C1(O)C(O)C
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
149.82
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.15
Molar Refractivity
38.27
Admin
Created at
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Updated at
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