ChemSpider 2D Image | Benzyl (8S)-8-{[(2S)-4,4-dimethoxy-2-(methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate | C23H30N2O7S2

Benzyl (8S)-8-{[(2S)-4,4-dimethoxy-2-(methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate

  • Molecular FormulaC23H30N2O7S2
  • Average mass510.624 Da
  • Monoisotopic mass510.149445 Da
  • ChemSpider ID8589426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S)-8-{[(2S)-4,4-Diméthoxy-2-(méthoxycarbonyl)-1-pyrrolidinyl]carbonyl}-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (8S)-8-{[(2S)-4,4-dimethoxy-2-(methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylate [ACD/IUPAC Name]
Benzyl-(8S)-8-{[(2S)-4,4-dimethoxy-2-(methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-1,4-dithia-7-azaspiro[4.4]nonan-7-carboxylat [German] [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: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.48
ACD/KOC (pH 5.5): 517.96
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.48
ACD/KOC (pH 7.4): 517.96
Polar Surface Area: 145 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

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