Molecule

ID:131794

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₁₁
Molecular Mass
397.37498
Exact Mass
397.15841069
Charge
0
InChI
InChI=1S/C15H27NO11/c1-5(18)16-8-11(21)9(19)6(3-17)26-14(8)25-4-7-10(20)12(22)13(23)15(24-2)27-7/h6-15,17,19-23H,3-4H2,1-2H3,(H,16,18)
InChIKey
UXYSKKBVNODRDW-UHFFFAOYSA-N
Canonic Smiles
COC1OC(COC2OC(CO)C(C(C2NC(=O)C)O)O)C(C(C1O)O)O
Isomeric Smiles
CC(=O)NC1C(C(C(OC1OCC1C(C(C(C(O1)OC)O)O)O)CO)O)O
Calculated Properties
JChem
Acid pKa
11.885333
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
-4.348284
LogD (pH = 7.4)
-4.348297
Log P
-4.348284
Molar Refractivity
84.1892
Polarizability
35.078526
Polar Surface Area
187.4
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation