Molecule

ID:3263

General Information
Structure
Molecular Formula
C₆H₈O₈--
Molecular Mass
208.12292
Exact Mass
208.02191722
Charge
-2
InChI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4-/m1/s1
InChIKey
DSLZVSRJTYRBFB-ZNIBRBMXSA-L
Canonic Smiles
O[C@@H]([C@H](C(=O)[O-])O)[C@H]([C@H](C(=O)[O-])O)O
Isomeric Smiles
O[C@H]([C@@H](O)[C@@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.8286042
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-7.6667438
LogD (pH = 7.4)
-9.969251
Log P
-3.0894697
Molar Refractivity
59.8126
Polarizability
15.649968
Polar Surface Area
161.18
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.64
LOG S
0.14
Solubility (Water)
3.34e+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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