Molecule

ID:91966

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₁₁
Molecular Mass
383.3484
Exact Mass
383.14276063
Charge
0
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(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+/m0/s1
InChIKey
KFEUJDWYNGMDBV-CKTWSTEBSA-N
Canonic Smiles
OC[C@H]1OC(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
O1[C@@H]([C@@H]([C@H]([C@@H](C1O)NC(=O)C)O)O[C@H]1O[C@H]([C@@H](O)[C@H]([C@@H]1O)O)CO)CO
Calculated Properties
JChem
Acid pKa
11.501288
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.9914103
LogD (pH = 7.4)
-4.9914436
Log P
-4.9914103
Molar Refractivity
79.438
Polarizability
33.212086
Polar Surface Area
198.4
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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