2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2lambda~5~-oxaphosphol-2-one|2-hydroxy-5,5-dimethyl-1,2$l^{5}-oxaphosphol-2-one|2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2$l^{5}-oxaphosphol-2-one

General Information

Structure

Molecular Formula

C₅H₉O₃P

Molecular Mass

148.096921

Exact Mass

148.02893078

Charge

InChI

InChI=1S/C5H9O3P/c1-5(2)3-4-9(6,7)8-5/h3-4H,1-2H3,(H,6,7)

InChIKey

BPJODSLPXVSHQO-UHFFFAOYSA-N

Canonic Smiles

CC1(C)C=CP(=O)(O1)O

Isomeric Smiles

P1(=O)(OC(C)(C)C=C1)O

Calculated Properties

JChem

Acid pKa

3.4692886

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7569208

LogD (pH = 7.4)

-2.2027776

Log P

0.09291423

Molar Refractivity

34.0612

Polarizability

13.491713

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-hydroxy-5,5-dimethyl-1,2$l^{5}-oxaphosphol-2-one

IUPAC name

2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2$l^{5}-oxaphosphol-2-one

Synonyms

2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2lambda~5~-oxaphosphol-2-one

Names and Identifiers

Registration numbers

PubChem CID

2780218

PubChem SID

162070511

MDL Number

MFCD00831197

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

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:83393