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19604-05-8 molecular structure
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disodium {[(2Z)-1-methyl-4-oxoimidazolidin-2-ylidene]amino}phosphonate

ChemBase ID: 798545
Molecular Formular: C4H6N3Na2O4P
Molecular Mass: 237.061441
Monoisotopic Mass: 236.98913088
SMILES and InChIs

SMILES:
N(=C\1/N(CC(=O)N1)C)/P(=O)([O-])[O-].[Na+].[Na+]
Canonical SMILES:
O=C1N/C(=N/P(=O)([O-])[O-])/N(C1)C.[Na+].[Na+]
InChI:
InChI=1S/C4H8N3O4P.2Na/c1-7-2-3(8)5-4(7)6-12(9,10)11;;/h2H2,1H3,(H3,5,6,8,9,10,11);;/q;2*+1/p-2
InChIKey:
SXKIJBYZZDVCOF-UHFFFAOYSA-L

Cite this record

CBID:798545 http://www.chembase.cn/molecule-798545.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium {[(2Z)-1-methyl-4-oxoimidazolidin-2-ylidene]amino}phosphonate
IUPAC Traditional name
disodium [(2Z)-1-methyl-4-oxoimidazolidin-2-ylidene]aminophosphonate
Synonyms
disodium (1-methyl-4-oxoimidazolidin-2-ylidene)phosphoramidate
CAS Number
19604-05-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11515 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11515 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.933673  H Acceptors
H Donor LogD (pH = 5.5) -3.8877187 
LogD (pH = 7.4) -5.2507424  Log P -3.03256 
Molar Refractivity 37.2418 cm3 Polarizability 14.799909 Å3
Polar Surface Area 107.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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