Molecule

ID:74994

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆O₆P₂
Molecular Mass
246.135162
Exact Mass
246.04221149
Charge
0
InChI
InChI=1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)
InChIKey
WDYVUKGVKRZQNM-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(CCCCCCP(=O)(O)O)O
Isomeric Smiles
P(=O)(CCCCCCP(=O)(O)O)(O)O
Calculated Properties
JChem
Acid pKa
1.5095321
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.7239075
LogD (pH = 7.4)
-5.861201
Log P
-1.1458797
Molar Refractivity
51.3466
Polarizability
20.512997
Polar Surface Area
115.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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