Molecule

ID:131913

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₆
Molecular Mass
223.22368
Exact Mass
223.10558727
Charge
0
InChI
InChI=1S/C8H17NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)/t5-,6+,7+,8-/m0/s1
InChIKey
DWAICOVNOFPYLS-OSMVPFSASA-N
Canonic Smiles
OC[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](CO)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.02
LogD (pH = 5.5)
-4.02
Log P
-4.02
Rotatable Bonds
6
H Donor
6
H Acceptors
6
Lipinski's Rule of Five
false
Acid pKa
12.67
Polar Surface Area
130.25
Polarizability
21.56
Molar Refractivity
49.50
LOG S
0.64
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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