Molecule

ID:125868

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₈
Molecular Mass
328.3145
Exact Mass
328.1158176
Charge
0
InChI
InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9+,12+,13+,14+,15-/m1/s1
InChIKey
GEVWHIDSUOMVRI-QHRGTXDDSA-N
Canonic Smiles
O=C1O[C@@H]2C[C@@]3([C@H]1O)[C@H](C)C[C@H]([C@@]3([C@@]1([C@@]2(C)O)COC1=O)O)O
Isomeric Smiles
O=C1OC[C@@]21[C@@]1(O)[C@H](O)C[C@H]([C@@]31C[C@@H](OC(=O)[C@@H]3O)[C@@]2(O)C)C
Calculated Properties
JChem
Acid pKa
12.01499
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-2.0579765
LogD (pH = 7.4)
-2.057987
Log P
-2.0579765
Molar Refractivity
71.9123
Polarizability
29.74347
Polar Surface Area
133.52
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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