Molecule

ID:128186

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉O₇PS
Molecular Mass
314.292421
Exact Mass
314.05891058
Charge
0
InChI
InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3
InChIKey
WSORODGWGUUOBO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
Isomeric Smiles
CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
0.97
LogD (pH = 5.5)
0.97
Log P
0.97
Rotatable Bonds
11
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-6.80
Polar Surface Area
88.13
Polarizability
29.28
Molar Refractivity
70.19
LOG S
-1.73
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