Molecule

ID:4097

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₇
Molecular Mass
210.18186
Exact Mass
210.07395279
Charge
0
InChI
InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1
InChIKey
BGWQRWREUZVRGI-MAFUWASYSA-N
Canonic Smiles
OC[C@H]([C@@H]1O[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O
Isomeric Smiles
OC[C@@H](O)[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.293628
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-3.5628748
LogD (pH = 7.4)
-3.5629296
Log P
-3.562874
Molar Refractivity
41.8859
Polarizability
17.671268
Polar Surface Area
130.61
Rotatable Bonds
2
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.82
LOG S
0.36
Solubility (Water)
4.85e+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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