Molecule

ID:3309

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₇
Molecular Mass
194.1394
Exact Mass
194.04265266
Charge
0
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChIKey
AEMOLEFTQBMNLQ-DTEWXJGMSA-N
Canonic Smiles
O[C@@H]1O[C@H](C(=O)O)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.06
LogD (pH = 5.5)
-4.88
Log P
-2.61
Rotatable Bonds
1
H Donor
5
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
3.21
Polar Surface Area
127.45
Polarizability
16.23
Molar Refractivity
35.79
LOG S
-0.00
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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