Molecule
ID:85624
General Information
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3
InChIKey
ORXJMBXYSGGCHG-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)OC)C(=O)OC
Isomeric Smiles
O=C(C(C(=O)OC)OC)OC
Calculated Properties
JChem
Acid pKa
16.177736
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.111361116
LogD (pH = 7.4)
-0.111361116
Log P
-0.111361116
Molar Refractivity
34.6154
Polarizability
14.201892
Polar Surface Area
61.83
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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