Molecule

ID:103350

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₉
Molecular Mass
309.26986
Exact Mass
309.10598119
Charge
0
InChI
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)
InChIKey
SQVRNKJHWKZAKO-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C1OC(O)(CC(C1NC(=O)C)O)C(=O)O)O)O
Isomeric Smiles
CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9967961
H Acceptors
9
H Donor
7
LogD (pH = 5.5)
-6.0295753
LogD (pH = 7.4)
-7.0390115
Log P
-3.5639374
Molar Refractivity
63.7814
Polarizability
26.256002
Polar Surface Area
176.78
Rotatable Bonds
5
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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