Molecule

ID:74947

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅O₅P
Molecular Mass
210.164761
Exact Mass
210.06571021
Charge
0
InChI
InChI=1S/C7H15O5P/c1-3-11-13(10,12-4-2)6-5-7(8)9/h3-6H2,1-2H3,(H,8,9)
InChIKey
YLIOJOOKMJEHJM-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(OCC)CCC(=O)O
Isomeric Smiles
O=C(CCP(=O)(OCC)OCC)O
Calculated Properties
JChem
Acid pKa
4.607189
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.612919
LogD (pH = 7.4)
-2.3980348
Log P
0.33132917
Molar Refractivity
46.5476
Polarizability
18.998146
Polar Surface Area
72.83
Rotatable Bonds
7
Lipinski's Rule of Five
true
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
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References
Bioactivity
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