Molecule

ID:74888

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂O₆P₂
Molecular Mass
218.082002
Exact Mass
218.01091136
Charge
0
InChI
InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)
InChIKey
JKTORXLUQLQJCM-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(CCCCP(=O)(O)O)O
Isomeric Smiles
P(=O)(O)(O)CCCCP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.509526
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.564386
LogD (pH = 7.4)
-6.701679
Log P
-1.9863582
Molar Refractivity
42.1446
Polarizability
16.945423
Polar Surface Area
115.06
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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