Molecule

ID:104001

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂O₁₁
Molecular Mass
390.33928
Exact Mass
390.11621152
Charge
0
InChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16?/m1/s1
InChIKey
LPTITAGPBXDDGR-RRMRAIHUSA-N
Canonic Smiles
CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
O=C(OC1O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.72691214
LogD (pH = 7.4)
-0.72691214
Log P
-0.72691214
Molar Refractivity
81.6809
Polarizability
34.419
Polar Surface Area
140.73
Rotatable Bonds
11
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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