Molecule

ID:89518

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₁₀
Molecular Mass
367.349
Exact Mass
367.14784601
Charge
0
InChI
InChI=1S/C14H25NO10/c1-4-8(18)10(20)11(21)14(23-4)25-12-6(3-16)24-13(22)7(9(12)19)15-5(2)17/h4,6-14,16,18-22H,3H2,1-2H3,(H,15,17)/t4-,6+,7+,8+,9+,10+,11-,12+,13?,14-/m0/s1
InChIKey
YSVYPLBRZMVZJE-SFHUXEFOSA-N
Canonic Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O)NC(=O)C
Isomeric Smiles
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.94
LogD (pH = 5.5)
-3.94
Log P
-3.94
Rotatable Bonds
4
H Donor
7
H Acceptors
10
Lipinski's Rule of Five
false
Acid pKa
11.52
Polar Surface Area
178.17
Polarizability
35.25
Molar Refractivity
77.89
LOG S
-0.54
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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