Molecule

ID:1979

General Information
Structure
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1
InChIKey
YRPRHLNMFWDGSL-YUPRTTJUSA-N
Canonic Smiles
O[C@H]1CO[C@@H](C[C@@H]1O)C(=O)O
Isomeric Smiles
O[C@H]1CO[C@@H](C[C@@H]1O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5308309
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.519761
LogD (pH = 7.4)
-4.923693
Log P
-1.557746
Molar Refractivity
33.6638
Polarizability
13.7504015
Polar Surface Area
86.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.7
LOG S
0.63
Solubility (Water)
6.92e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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