ChemSpider 2D Image | Benzyl (1S,3aS,4R,5R,5aR,8aR,8bS)-1-methyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}-4-vinyldecahydro-6H-furo[3,2-e]indole-6-carboxylate | C34H53NO5Si

Benzyl (1S,3aS,4R,5R,5aR,8aR,8bS)-1-methyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}-4-vinyldecahydro-6H-furo[3,2-e]indole-6-carboxylate

  • Molecular FormulaC34H53NO5Si
  • Average mass583.874 Da
  • Monoisotopic mass583.369324 Da
  • ChemSpider ID9909298
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,3aS,4R,5R,5aR,8aR,8bS)-1-Méthyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}-4-vinyldécahydro-6H-furo[3,2-e]indole-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
6H-Furo[3,2-e]indole-6-carboxylic acid, 4-ethenyldecahydro-1-methyl-2-oxo-5-[4-[[tris(1-methylethyl)silyl]oxy]butyl]-, phenylmethyl ester, (1S,3aS,4R,5R,5aR,8aR,8bS)- [ACD/Index Name]
Benzyl (1S,3aS,4R,5R,5aR,8aR,8bS)-1-methyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}-4-vinyldecahydro-6H-furo[3,2-e]indole-6-carboxylate [ACD/IUPAC Name]
Benzyl-(1S,3aS,4R,5R,5aR,8aR,8bS)-1-methyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}-4-vinyldecahydro-6H-furo[3,2-e]indol-6-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 634.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 290987.81
ACD/KOC (pH 5.5): 283540.91
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 290987.81
ACD/KOC (pH 7.4): 283540.91
Polar Surface Area: 65 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 555.1±3.0 cm3

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