ChemSpider 2D Image | 2-Methyl-2-propanyl (5R,10S)-1-acetoxy-10-[5-(3-acetoxypropyl)-3-furyl]-7-(phenylsulfonyl)-2,7-diazaspiro[4.5]decane-2-carboxylate | C30H40N2O9S

2-Methyl-2-propanyl (5R,10S)-1-acetoxy-10-[5-(3-acetoxypropyl)-3-furyl]-7-(phenylsulfonyl)-2,7-diazaspiro[4.5]decane-2-carboxylate

  • Molecular FormulaC30H40N2O9S
  • Average mass604.712 Da
  • Monoisotopic mass604.245422 Da
  • ChemSpider ID9356070

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R,10S)-1-Acétoxy-10-[5-(3-acétoxypropyl)-3-furyl]-7-(phénylsulfonyl)-2,7-diazaspiro[4.5]décane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,7-Diazaspiro[4.5]decane-2-carboxylic acid, 1-(acetyloxy)-10-[5-[3-(acetyloxy)propyl]-3-furanyl]-7-(phenylsulfonyl)-, 1,1-dimethylethyl ester, (5R,10S)- [ACD/Index Name]
2-Methyl-2-propanyl (5R,10S)-1-acetoxy-10-[5-(3-acetoxypropyl)-3-furyl]-7-(phenylsulfonyl)-2,7-diazaspiro[4.5]decane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(5R,10S)-1-acetoxy-10-[5-(3-acetoxypropyl)-3-furyl]-7-(phenylsulfonyl)-2,7-diazaspiro[4.5]decan-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1937.26
ACD/KOC (pH 5.5): 7844.51
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1937.26
ACD/KOC (pH 7.4): 7844.51
Polar Surface Area: 141 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

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