Molecule

ID:3277

General Information
Structure
Molecular Formula
C₁₄H₂₅NO₁₁
Molecular Mass
383.3484
Exact Mass
383.14276063
Charge
0
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12+,13-,14+/m1/s1
InChIKey
KFEUJDWYNGMDBV-DNXXAFDGSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.99
LogD (pH = 5.5)
-4.99
Log P
-4.99
Rotatable Bonds
5
H Donor
8
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
11.50
Polar Surface Area
198.40
Polarizability
35.66
Molar Refractivity
79.44
LOG S
-0.10
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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