Molecule

ID:75003

General Information

Structure

Molecular Formula

C₅H₁₁O₅P

Molecular Mass

182.111601

Exact Mass

182.03441008

Charge

0

InChI

InChI=1S/C5H11O5P/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H2,8,9,10)

InChIKey

XWCXIPMQBWAVJA-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CCCCP(=O)(O)O

Isomeric Smiles

P(=O)(O)(O)CCCCC(=O)O

Calculated Properties

JChem

Acid pKa

1.8095642

H Acceptors

5

H Donor

3

LogD (pH = 5.5)

-4.0057635

LogD (pH = 7.4)

-5.8443837

Log P

-0.76869977

Molar Refractivity

37.4418

Polarizability

14.946816

Polar Surface Area

94.83

Rotatable Bonds

5

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