Molecule

ID:2290

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6-/m0/s1
InChIKey
LKDRXBCSQODPBY-FSIIMWSLSA-N
Canonic Smiles
OC[C@]1(O)OC[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
10.291031
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.7580063
LogD (pH = 7.4)
-2.7585566
Log P
-2.7579994
Molar Refractivity
36.3608
Polarizability
15.155883
Polar Surface Area
110.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.51
LOG S
0.82
Solubility (Water)
1.19e+03 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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