ChemSpider 2D Image | (5R,6S)-3-(3,5-Diiodophenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C15H13I2NO4

(5R,6S)-3-(3,5-Diiodophenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC15H13I2NO4
  • Average mass525.077 Da
  • Monoisotopic mass524.893372 Da
  • ChemSpider ID8026157

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S)-3-(3,5-Diiodophenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
(5R,6S)-3-(3,5-Diiodphenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-(3,5-diiodophenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-, (5R,6S)- [ACD/Index Name]
Acide (5R,6S)-3-(3,5-diiodophényl)-6-[(1R)-1-hydroxyéthyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.786
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 21.58
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 229.4±5.0 cm3

Click to predict properties on the Chemicalize site


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