Molecule

ID:104479

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₁₆
Molecular Mass
504.43708
Exact Mass
504.16903494
Charge
0
InChI
InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2
InChIKey
ZCLAHGAZPPEVDX-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C=O)O)O)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O)O
Isomeric Smiles
OCC(O)C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)C=O
Calculated Properties
JChem
Acid pKa
11.549234
H Acceptors
16
H Donor
11
LogD (pH = 5.5)
-7.110032
LogD (pH = 7.4)
-7.1100626
Log P
-7.110032
Molar Refractivity
102.1722
Polarizability
42.88
Polar Surface Area
276.52
Rotatable Bonds
11
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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