Molecule

ID:111498

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₂O₁₀
Molecular Mass
372.40858
Exact Mass
372.19954722
Charge
0
InChI
InChI=1S/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2
InChIKey
PTJWCLYPVFJWMP-UHFFFAOYSA-N
Canonic Smiles
OCC(COCC(CO)(CO)CO)(COCC(CO)(CO)CO)CO
Isomeric Smiles
OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO
Calculated Properties
JChem
Acid pKa
13.995934
H Acceptors
10
H Donor
8
LogD (pH = 5.5)
-5.8923526
LogD (pH = 7.4)
-5.8923526
Log P
-5.8923526
Molar Refractivity
88.1629
Polarizability
34.99393
Polar Surface Area
180.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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