Molecule

ID:126669

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₄
Molecular Mass
148.15708
Exact Mass
148.07355886
Charge
0
InChI
InChI=1S/C6H12O4/c1-4(8)6(10)2-5(9)3-7/h3-6,8-10H,2H2,1H3/t4-,5-,6-/m0/s1
InChIKey
GNTQICZXQYZQNE-ZLUOBGJFSA-N
Canonic Smiles
O=C[C@H](C[C@@H]([C@@H](O)C)O)O
Isomeric Smiles
O=C[C@@H](O)C[C@H](O)[C@@H](O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.83
LogD (pH = 5.5)
-1.83
Log P
-1.83
Rotatable Bonds
4
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
13.40
Polar Surface Area
77.76
Polarizability
14.55
Molar Refractivity
34.70
LOG S
0.50
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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