Molecule

ID:3718

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₁₀
Molecular Mass
341.31172
Exact Mass
341.13219594
Charge
0
InChI
InChI=1S/C12H23NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-21H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10+,11+,12+/m0/s1
InChIKey
ABKILQNIPWRUHO-IHLXQJDHSA-N
Canonic Smiles
OC[C@@H]1N[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)O
Isomeric Smiles
OC[C@@H]1N[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.98175
H Acceptors
11
H Donor
9
LogD (pH = 5.5)
-6.5582786
LogD (pH = 7.4)
-5.1760287
Log P
-5.020803
Molar Refractivity
70.0176
Polarizability
29.706928
Polar Surface Area
192.33
Rotatable Bonds
4
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.93
LOG S
0.03
Solubility (Water)
3.66e+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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