ChemSpider 2D Image | Sulopenem etzadroxil | C19H27NO7S3

Sulopenem etzadroxil

  • Molecular FormulaC19H27NO7S3
  • Average mass477.615 Da
  • Monoisotopic mass477.094971 Da
  • ChemSpider ID30790976

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R,6S)-6-[(1R)-1-Hydroxyéthyl]-7-oxo-3-{[(1R,3S)-1-oxydotétrahydro-3-thiophényl]sulfanyl}-4-thia-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylate de [(2-éthylbutanoyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2-Ethylbutanoyl)oxy]methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-{[(1R,3S)-1-oxidotetrahydro-3-thiophenyl]sulfanyl}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate [ACD/IUPAC Name]
[(2-Ethylbutanoyl)oxy]methyl-(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-{[(1R,3S)-1-oxidotetrahydro-3-thiophenyl]sulfanyl}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-carboxylat [German] [ACD/IUPAC Name]
1000296-70-7 [RN]
492M3I304T
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-, (2-ethyl-1-oxobutoxy)methyl ester, (5R,6S)- [ACD/Index Name]
Sulopenem etzadroxil [USAN]
(5R,6S)-6-(1-hydroxyethyl)-7-keto-3-[[(1R,3S)-1-ketothiolan-3-yl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-ethylbutanoyloxymethyl ester
(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[[(1R,3S)-1-oxo-3-thiolanyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-ethyl-1-oxobutoxy)methyl ester
2-ethylbutanoyloxymethyl (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PF-03709270 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 723.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 391.1±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 65.49
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 65.49
Polar Surface Area: 180 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site


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