Molecule

ID:5530

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃O₉P
Molecular Mass
330.268681
Exact Mass
330.10796895
Charge
0
InChI
InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
InChIKey
YBSWGBVCGAZBHG-SECBINFHSA-N
Canonic Smiles
CCCC(=O)OC[C@@H](OC(=O)CCC)COP(O)(O)(O)O
Isomeric Smiles
P(O)(O)(OC[C@@H](COC(=O)CCC)OC(=O)CCC)(O)O
Calculated Properties
JChem
Acid pKa
8.795061
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-0.1617189
LogD (pH = 7.4)
-0.17854919
Log P
-0.1615
Molar Refractivity
71.5189
Polarizability
29.497107
Polar Surface Area
142.75
Rotatable Bonds
12
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.11
LOG S
-3.3
Solubility (Water)
1.65e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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