Molecule

ID:73016

General Information
Structure
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Molecular Formula
C₁₄H₂₀O₇
Molecular Mass
300.3044
Exact Mass
300.12090298
Charge
0
InChI
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
ILRCGYURZSFMEG-RKQHYHRCSA-N
Canonic Smiles
OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OCCc1ccc(cc1)O)O)O)O)CO
Calculated Properties
JChem
Acid pKa
10.198019
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-0.57985234
LogD (pH = 7.4)
-0.5805308
Log P
-0.5798437
Molar Refractivity
72.0231
Polarizability
28.860756
Polar Surface Area
119.61
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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