ChemSpider 2D Image | (3R,4S,7R)-5-Benzoyl-1-oxo-3-phenyl-2-(phenylsulfonyl)-2,5-diazaspiro[3.4]oct-7-yl acetate | C27H24N2O6S

(3R,4S,7R)-5-Benzoyl-1-oxo-3-phenyl-2-(phenylsulfonyl)-2,5-diazaspiro[3.4]oct-7-yl acetate

  • Molecular FormulaC27H24N2O6S
  • Average mass504.554 Da
  • Monoisotopic mass504.135498 Da
  • ChemSpider ID9299123

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,7R)-5-Benzoyl-1-oxo-3-phenyl-2-(phenylsulfonyl)-2,5-diazaspiro[3.4]oct-7-yl acetate [ACD/IUPAC Name]
(3R,4S,7R)-5-Benzoyl-1-oxo-3-phenyl-2-(phenylsulfonyl)-2,5-diazaspiro[3.4]oct-7-yl-acetat [German] [ACD/IUPAC Name]
2,5-Diazaspiro[3.4]octan-1-one, 7-(acetyloxy)-5-benzoyl-3-phenyl-2-(phenylsulfonyl)-, (3R,4S,7R)- [ACD/Index Name]
Acétate de (3R,4S,7R)-5-benzoyl-1-oxo-3-phényl-2-(phénylsulfonyl)-2,5-diazaspiro[3.4]oct-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.74
ACD/KOC (pH 5.5): 1206.83
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.74
ACD/KOC (pH 7.4): 1206.83
Polar Surface Area: 109 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 348.5±5.0 cm3

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