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144912-63-0 molecular structure
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(2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethyl)phosphonic acid

ChemBase ID: 153287
Molecular Formular: C9H15N2O5P
Molecular Mass: 262.199561
Monoisotopic Mass: 262.07185822
SMILES and InChIs

SMILES:
C1CNC2C(C(=O)C2=O)N(C1)CCP(=O)(O)O
Canonical SMILES:
O=C1C(=O)C2C1NCCCN2CCP(=O)(O)O
InChI:
InChI=1S/C9H15N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h6-7,10H,1-5H2,(H2,14,15,16)
InChIKey:
QGGOFUZYYGMLDO-UHFFFAOYSA-N

Cite this record

CBID:153287 http://www.chembase.cn/molecule-153287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethyl)phosphonic acid
IUPAC Traditional name
2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]nonan-2-yl}ethylphosphonic acid
Synonyms
P-[2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]-phosphonic acid
WAY-126090
EAA-090
CAS Number
144912-63-0
MDL Number
MFCD00912427
PubChem SID
162247426
PubChem CID
68739521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
SML0206 external link Add to cart Please log in.
Data Source Data ID
PubChem 68739521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.2461336  H Acceptors
H Donor LogD (pH = 5.5) -2.856061 
LogD (pH = 7.4) -3.408593  Log P -2.8688633 
Molar Refractivity 58.8549 cm3 Polarizability 23.44775 Å3
Polar Surface Area 106.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: ≥2 mg/mL expand Show data source
Apperance
light yellow to yellow powder expand Show data source
MSDS Link
Download expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C9H13N2O5P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - SML0206 external link
Biochem/physiol Actions
EAA-090 is a potent NMDA receptor antagonist with neuroprotective properties. In isoflurane-anesthetized dogs, EAA-090 reduces the minimum alveolar concentration (MAC) of isoflurane and increases systolic, mean, and diastolic arterial blood pressure.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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