Molecule

ID:112094

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₆
Molecular Mass
236.2622
Exact Mass
236.12598836
Charge
0
InChI
InChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m1/s1
InChIKey
AQWPITGEZPPXTJ-ZKZCYXTQSA-N
Canonic Smiles
COC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1OC)OC)OC
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC)OC)OC)OC
Calculated Properties
JChem
Acid pKa
11.3446045
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.3600338
LogD (pH = 7.4)
-0.36008248
Log P
-0.3600332
Molar Refractivity
54.9282
Polarizability
22.64645
Polar Surface Area
66.38
Rotatable Bonds
5
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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