Molecule

ID:91077

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKey
TWNIBLMWSKIRAT-AIECOIEWSA-N
Canonic Smiles
O[C@@H]1[C@@H](O)[C@H]2CO[C@@H]([C@@H]1O)O2
Isomeric Smiles
O1[C@H]2[C@@H]([C@H]([C@H]([C@@H]1OC2)O)O)O
Calculated Properties
JChem
Acid pKa
12.212605
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.7708358
LogD (pH = 7.4)
-1.7708423
Log P
-1.7708356
Molar Refractivity
32.4133
Polarizability
13.814454
Polar Surface Area
79.15
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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