Molecule

ID:130548

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₅
Molecular Mass
202.20446
Exact Mass
202.08412355
Charge
0
InChI
InChI=1S/C9H14O5/c1-12-9-3-6-5(2-8(11)13-6)7(4-10)14-9/h5-7,9-10H,2-4H2,1H3/t5-,6+,7-,9+/m0/s1
InChIKey
CEVALZNMSHYICJ-VOQBNFLRSA-N
Canonic Smiles
OC[C@@H]1O[C@@H](OC)C[C@@H]2[C@@H]1CC(=O)O2
Isomeric Smiles
CO[C@H]1C[C@@H]2[C@H](CC(=O)O2)[C@@H](O1)CO
Calculated Properties
JChem
Acid pKa
14.657111
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.43035838
LogD (pH = 7.4)
-0.4303584
Log P
-0.43035838
Molar Refractivity
45.2574
Polarizability
18.770006
Polar Surface Area
64.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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