Molecule

ID:72936

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₅
Molecular Mass
284.34806
Exact Mass
284.16237387
Charge
0
InChI
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1
InChIKey
BJDCWCLMFKKGEE-KDTBHNEXSA-N
Canonic Smiles
O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
Isomeric Smiles
C1C[C@@H]2[C@]34[C@H]([C@@H]1C)CC[C@@](O[C@H]3O[C@H]([C@@H]2C)O)(C)OO4
Calculated Properties
JChem
Acid pKa
12.114969
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.8382654
LogD (pH = 7.4)
2.838257
Log P
2.8382654
Molar Refractivity
69.9093
Polarizability
28.899292
Polar Surface Area
57.15
Rotatable Bonds
0
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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