Molecule

ID:948

General Information
Structure
MolImage
Molecular Formula
C₂H₈O₇P₂
Molecular Mass
206.028242
Exact Mass
205.97452586
Charge
0
InChI
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey
DBVJJBKOTRCVKF-UHFFFAOYSA-N
Canonic Smiles
CC(P(=O)(O)O)(P(=O)(O)O)O
Isomeric Smiles
P(=O)(O)(O)C(P(=O)(O)O)(O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-7.20
LogD (pH = 5.5)
-6.89
Log P
-2.28
Rotatable Bonds
2
H Donor
5
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
0.70
Polar Surface Area
135.29
Polarizability
13.65
Molar Refractivity
34.51
LOG S
3.40
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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