Molecule

ID:131159

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂FO₈P
Molecular Mass
262.1268442
Exact Mass
262.02538219
Charge
0
InChI
InChI=1S/C6H12FO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2H2,(H2,12,13,14)
InChIKey
CMLYNMGULQGGIA-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(COP(=O)(O)O)O)O)O)F
Isomeric Smiles
C(C(C(C(C(C=O)F)O)O)O)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.4918834
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-5.208001
LogD (pH = 7.4)
-6.179538
Log P
-2.800835
Molar Refractivity
46.5264
Polarizability
19.102444
Polar Surface Area
144.52
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
References
Bioactivity
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