Molecule

ID:1654

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5+/m1/s1
InChIKey
PHOQVHQSTUBQQK-MBMOQRBOSA-N
Canonic Smiles
OC[C@H]1OC(=O)[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
OC[C@H]1OC(=O)[C@@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.618472
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.7452736
LogD (pH = 7.4)
-2.7452993
Log P
-2.745273
Molar Refractivity
34.7788
Polarizability
14.633189
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.16
LOG S
0.52
Solubility (Water)
5.86e+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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