Molecule

ID:134249

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₁₀
Molecular Mass
337.27996
Exact Mass
337.10089581
Charge
0
InChI
InChI=1S/C12H19NO10/c13-4(2-14)8(18)10(6(17)3-15)23-12-9(19)5(16)1-7(22-12)11(20)21/h1-2,4-6,8-10,12,15-19H,3,13H2,(H,20,21)
InChIKey
RSCSYLOUHOXZCJ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C=O)N)O)OC1OC(=CC(C1O)O)C(=O)O)O
Isomeric Smiles
C1=C(OC(C(C1O)O)OC(C(CO)O)C(C(C=O)N)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0664406
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
-6.653359
LogD (pH = 7.4)
-7.043536
Log P
-6.650121
Molar Refractivity
71.6448
Polarizability
28.924925
Polar Surface Area
200.0
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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