Molecule

ID:3428

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₁₀
Molecular Mass
341.31172
Exact Mass
341.13219594
Charge
0
InChI
InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8+,9+,10-,11-,12+/m0/s1
InChIKey
HEPUIGACZYVUCD-JPGQGNGZSA-N
Canonic Smiles
OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)N
Isomeric Smiles
N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.250868
H Acceptors
11
H Donor
9
LogD (pH = 5.5)
-8.143088
LogD (pH = 7.4)
-6.4582324
Log P
-5.659727
Molar Refractivity
69.8458
Polarizability
29.706928
Polar Surface Area
206.32
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.81
LOG S
0.05
Solubility (Water)
3.87e+02 g/l
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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