Molecule

ID:2811

General Information
Structure
Molecular Formula
C₈H₁₅NO₆
Molecular Mass
221.2078
Exact Mass
221.08993721
Charge
0
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChIKey
OVRNDRQMDRJTHS-JAJWTYFOSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.22
LogD (pH = 5.5)
-3.22
Log P
-3.22
Rotatable Bonds
2
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
11.60
Polar Surface Area
119.25
Polarizability
20.95
Molar Refractivity
47.02
LOG S
-0.17
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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