Molecule

ID:82020

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₆P₂
Molecular Mass
324.247002
Exact Mass
324.08916168
Charge
0
InChI
InChI=1S/C12H22O6P2/c1-10(19(13)15-6-11(2,3)7-16-19)20(14)17-8-12(4,5)9-18-20/h1,6-9H2,2-5H3
InChIKey
LGIZYDYQFZYDKD-UHFFFAOYSA-N
Canonic Smiles
C=C(P1(=O)OCC(CO1)(C)C)P1(=O)OCC(CO1)(C)C
Isomeric Smiles
P1(=O)(C(=C)P2(=O)OCC(CO2)(C)C)OCC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.583647
LogD (pH = 7.4)
2.583647
Log P
2.583647
Molar Refractivity
72.4339
Polarizability
30.637201
Polar Surface Area
71.06
Rotatable Bonds
2
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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