Molecule

ID:109486

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃O₆P
Molecular Mass
224.148281
Exact Mass
224.04497477
Charge
0
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
InChIKey
GEPDYQSQVLXLEU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C=C(OP(=O)(OC)OC)C
Isomeric Smiles
COC(=O)/C=C(\C)/OP(=O)(OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
0.50
LogD (pH = 5.5)
0.50
Log P
0.50
Rotatable Bonds
6
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.89
Polar Surface Area
71.06
Polarizability
19.69
Molar Refractivity
49.69
LOG S
-1.24
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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