ChemSpider 2D Image | Methyl (2beta,3beta,7beta)-1-methyl-8-thioxo-7-[(triisopropylsilyl)oxy]-3,19-epoxyaspidospermidine-3-carboxylate | C31H46N2O4SSi

Methyl (2β,3β,7β)-1-methyl-8-thioxo-7-[(triisopropylsilyl)oxy]-3,19-epoxyaspidospermidine-3-carboxylate

  • Molecular FormulaC31H46N2O4SSi
  • Average mass570.858 Da
  • Monoisotopic mass570.294739 Da
  • ChemSpider ID30660006

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2β,3β,7β)-1-Méthyl-8-thioxo-7-[(triisopropylsilyl)oxy]-3,19-époxyaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 3,19-epoxy-1-methyl-8-thioxo-7-[[tris(1-methylethyl)silyl]oxy]-, methyl ester, (2β,3β,7β)- [ACD/Index Name]
Methyl (2β,3β,7β)-1-methyl-8-thioxo-7-[(triisopropylsilyl)oxy]-3,19-epoxyaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(2β,3β,7β)-1-methyl-8-thioxo-7-[(triisopropylsilyl)oxy]-3,19-epoxyaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14998.55
ACD/KOC (pH 5.5): 33898.35
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15073.75
ACD/KOC (pH 7.4): 34068.30
Polar Surface Area: 83 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 475.1±5.0 cm3

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