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disodium 2-acetamido-4-(methylphosphinato)butanoate
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ChemBase ID:
159291
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Molecular Formular:
C7H12NNa2O5P
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Molecular Mass:
267.127181
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Monoisotopic Mass:
267.02484768
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SMILES and InChIs
SMILES:
P(=O)(CCC(C(=O)[O-])NC(=O)C)(C)[O-].[Na+].[Na+]
Canonical SMILES:
CC(=O)NC(C(=O)[O-])CCP(=O)(C)[O-].[Na+].[Na+]
InChI:
InChI=1S/C7H14NO5P.2Na/c1-5(9)8-6(7(10)11)3-4-14(2,12)13;;/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKey:
MXZGHOPHLLPFJZ-UHFFFAOYSA-L
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Cite this record
CBID:159291 http://www.chembase.cn/molecule-159291.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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disodium 2-acetamido-4-(methylphosphinato)butanoate
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IUPAC Traditional name
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disodium N-acetylphosphinothricin
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Synonyms
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2-(Acetylamino)-4-(hydroxymethylphosphinyl)butanoic Acid Sodium Salt
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N-Acetyl Glufosinate Sodium
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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2.00752
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-5.879432
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LogD (pH = 7.4)
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-7.643397
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Log P
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-2.2447
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Molar Refractivity
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58.8202 cm3
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Polarizability
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19.111233 Å3
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Polar Surface Area
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109.36 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent