Molecule

ID:104002

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₇
Molecular Mass
208.16598
Exact Mass
208.05830272
Charge
0
InChI
InChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
InChIKey
VIVCRCODGMFTFY-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C1OC(=O)C(C1O)O)O)O
Isomeric Smiles
OCC(O)C(O)C1OC(=O)C(O)C1O
Calculated Properties
JChem
Acid pKa
11.607878
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.3756084
LogD (pH = 7.4)
-3.375635
Log P
-3.3756082
Molar Refractivity
40.7413
Polarizability
17.148533
Polar Surface Area
127.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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