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90965-06-3 molecular structure
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dimethyl (1-diazo-2-oxopropyl)phosphonate

ChemBase ID: 810671
Molecular Formular: C5H9N2O4P
Molecular Mass: 192.109721
Monoisotopic Mass: 192.02999341
SMILES and InChIs

SMILES:
P(=O)(OC)(OC)C(=[N+]=[N-])C(=O)C
Canonical SMILES:
[N-]=[N+]=C(P(=O)(OC)OC)C(=O)C
InChI:
InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3
InChIKey:
SQHSJJGGWYIFCD-UHFFFAOYSA-N

Cite this record

CBID:810671 http://www.chembase.cn/molecule-810671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl (1-diazo-2-oxopropyl)phosphonate
IUPAC Traditional name
seyferth-gilbert homologation
Synonyms
DIMETHYL (1-DIAZO-2-OXOPROPYL)PHOSPHONATE
CAS Number
90965-06-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29419 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29419 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.04208  H Acceptors
H Donor LogD (pH = 5.5) -1.3697078 
LogD (pH = 7.4) -1.3847326  Log P -1.3694767 
Molar Refractivity 39.2292 cm3 Polarizability 16.228006 Å3
Polar Surface Area 69.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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