Molecule

ID:132781

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₇NO₇
Molecular Mass
461.63248
Exact Mass
461.33525285
Charge
0
InChI
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+
InChIKey
HHJTWTPUPVQKNA-CCEZHUSRSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C/C(C(COC1OC(CO)C(C(C1O)O)O)N)O
Isomeric Smiles
CCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)O)O)O)N)O
Calculated Properties
JChem
Acid pKa
12.206499
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-0.13794628
LogD (pH = 7.4)
1.0860742
Log P
2.7957444
Molar Refractivity
124.3053
Polarizability
49.999756
Polar Surface Area
145.63
Rotatable Bonds
18
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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