Molecule

ID:92030

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₁₄
Molecular Mass
440.35336
Exact Mass
440.11660545
Charge
0
InChI
InChI=1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-,11-,12-/m1/s1
InChIKey
FZERLKNAJSFDSQ-DDHJBXDOSA-N
Canonic Smiles
OC(=O)[C@@H]1OCCOCCO[C@H](C(=O)O)[C@@H](OCCOCCO[C@@H]1C(=O)O)C(=O)O
Isomeric Smiles
O1CCO[C@@H]([C@@H](OCCOCCO[C@H](C(=O)O)[C@H](C(=O)O)OCC1)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.775193
H Acceptors
14
H Donor
4
LogD (pH = 5.5)
-7.453624
LogD (pH = 7.4)
-13.088139
Log P
-1.5220946
Molar Refractivity
89.5806
Polarizability
36.451042
Polar Surface Area
204.58
Rotatable Bonds
4
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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