ChemSpider 2D Image | Epihetacillin | C19H23N3O4S

Epihetacillin

  • Molecular FormulaC19H23N3O4S
  • Average mass389.469 Da
  • Monoisotopic mass389.140930 Da
  • ChemSpider ID52084750

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5R,6S)-6-[(4R)-2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6S)-6-[(4R)-2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
18715-92-9 [RN]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-, (2S,5R,6S)- [ACD/Index Name]
Acide (2S,5R,6S)-6-[(4R)-2,2-diméthyl-5-oxo-4-phényl-1-imidazolidinyl]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
Epihetacillin

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

E91OO4Z75F [DBID]
UNII:E91OO4Z75F [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement