Molecule

ID:128240

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈NO₈Sb
Molecular Mass
365.97972
Exact Mass
365.00705654
Charge
0
InChI
InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1
InChIKey
XOGYVDXPYVPAAQ-SESJOKTNSA-M
Canonic Smiles
O[Sb](=O)=O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Isomeric Smiles
O=[Sb](=O)O.O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CNC)CO
Calculated Properties
JChem
Acid pKa
12.649772
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-6.4926486
LogD (pH = 7.4)
-5.11365
Log P
-3.4043202
Molar Refractivity
44.8357
Polarizability
18.39889
Polar Surface Area
113.18
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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