ChemSpider 2D Image | (8S)-7-[(4-Nitrophenyl)sulfonyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid | C13H14N2O6S3

(8S)-7-[(4-Nitrophenyl)sulfonyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID31133460

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-7-[(4-Nitrophenyl)sulfonyl]-1,4-dithia-7-azaspiro[4.4]nonan-8-carbonsäure [German] [ACD/IUPAC Name]
(8S)-7-[(4-Nitrophenyl)sulfonyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid [ACD/IUPAC Name]
1,4-Dithia-7-azaspiro[4.4]nonane-8-carboxylic acid, 7-[(4-nitrophenyl)sulfonyl]-, (8S)- [ACD/Index Name]
Acide (8S)-7-[(4-nitrophényl)sulfonyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 665.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.3±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 228.2±5.0 cm3

Click to predict properties on the Chemicalize site


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