Molecule

ID:133201

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₁₁
Molecular Mass
383.3484
Exact Mass
383.14276063
Charge
0
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)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
HMQPEDMEOBLSQB-UFLFEMAHSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
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
11.49
Polar Surface Area
198.40
Polarizability
35.24
Molar Refractivity
79.44
LOG S
-0.10
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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