Molecule

ID:63083

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀NO₇P
Molecular Mass
297.242061
Exact Mass
297.09773862
Charge
0
InChI
InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)
InChIKey
LJHAPRKTPAREGO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(P(=O)(OC)OC)NC(=O)OC(C)(C)C
Isomeric Smiles
P(=O)(OC)(C(NC(=O)OC(C)(C)C)C(=O)OC)OC
Calculated Properties
JChem
Acid pKa
12.838981
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5642678
LogD (pH = 7.4)
0.5642664
Log P
0.5642679
Molar Refractivity
65.0966
Polarizability
26.766842
Polar Surface Area
100.16
Rotatable Bonds
8
Lipinski's Rule of Five
true
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