Molecule

ID:103353

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₇
Molecular Mass
248.22984
Exact Mass
248.08960285
Charge
0
InChI
InChI=1S/C10H16O7/c1-10(2)16-7-6(11)5(15-8(7)17-10)4-14-9(12)13-3/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8-/m1/s1
InChIKey
GGDOHLQEKFUTGN-ULAWRXDQSA-N
Canonic Smiles
COC(=O)OC[C@H]1O[C@H]2[C@@H]([C@H]1O)OC(O2)(C)C
Isomeric Smiles
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)COC(=O)OC)O)C
Calculated Properties
JChem
Acid pKa
12.969069
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.46063688
LogD (pH = 7.4)
0.46063572
Log P
0.46063688
Molar Refractivity
52.943
Polarizability
22.113825
Polar Surface Area
83.45
Rotatable Bonds
4
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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