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(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium
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ChemBase ID:
168871
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Molecular Formular:
C12H15NNaO5S
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Molecular Mass:
308.30597
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Monoisotopic Mass:
308.05686287
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SMILES and InChIs
SMILES:
[C@@H]1(C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@@H]1OCCC1)[C@H](O)C.[Na]
Canonical SMILES:
C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na]
InChI:
InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/t5-,6-,7+,11-;/m1./s1
InChIKey:
ZAHYBLKQUGVSKQ-VUKDEKJYSA-N
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Cite this record
CBID:168871 http://www.chembase.cn/molecule-168871.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium
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IUPAC Traditional name
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Synonyms
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[5R-[3(R*),5α,6α(R*)]]-6-(1-Hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Monosodium Salt
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Faropenem Sodium Salt Hemipentahydrate
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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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4.1632895
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-2.1061792
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LogD (pH = 7.4)
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-3.8107867
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Log P
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-0.7526909
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Molar Refractivity
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69.2556 cm3
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Polarizability
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26.680937 Å3
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Polar Surface Area
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87.07 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent