Molecule

ID:74993

General Information

Structure

Molecular Formula

C₂H₈O₆P₂

Molecular Mass

190.028842

Exact Mass

189.97961124

Charge

0

InChI

InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)

InChIKey

XYJLPCAKKYOLGU-UHFFFAOYSA-N

Canonic Smiles

OP(=O)(CCP(=O)(O)O)O

Isomeric Smiles

P(=O)(O)(O)CCP(=O)(O)O

Calculated Properties

JChem

Acid pKa

1.4957225

H Acceptors

6

H Donor

4

LogD (pH = 5.5)

-7.2584944

LogD (pH = 7.4)

-7.395866

Log P

-2.6802344

Molar Refractivity

32.6346

Polarizability

13.41916

Polar Surface Area

115.06

Rotatable Bonds

3

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