Molecule

ID:80929

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₈
Molecular Mass
210.1388
Exact Mass
210.03756728
Charge
0
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)/t1-,2-,3-,4-/m1/s1
InChIKey
DSLZVSRJTYRBFB-ZNIBRBMXSA-N
Canonic Smiles
O[C@@H]([C@H](C(=O)O)O)[C@H]([C@H](C(=O)O)O)O
Isomeric Smiles
OC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-9.97
LogD (pH = 5.5)
-7.67
Log P
-3.09
Rotatable Bonds
5
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
2.83
Polar Surface Area
155.52
Polarizability
17.20
Molar Refractivity
38.14
LOG S
0.46
Data Source
Names and Identifiers
Registration numbers
Properties
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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