Molecule

ID:104781

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₆
Molecular Mass
193.15464
Exact Mass
193.05863708
Charge
0
InChI
InChI=1S/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)
InChIKey
VOIFKEWOFUNPBN-UHFFFAOYSA-N
Canonic Smiles
OC1OC(C(=O)N)C(C(C1O)O)O
Isomeric Smiles
NC(=O)C1OC(O)C(O)C(O)C1O
Calculated Properties
JChem
Acid pKa
11.285102
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.419208
LogD (pH = 7.4)
-3.4192638
Log P
-3.4192073
Molar Refractivity
37.613
Polarizability
15.8088665
Polar Surface Area
133.24
Rotatable Bonds
1
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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