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

Benzyl (3aS,4R,5R,5aR,8aR,8bR)-4-allyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}decahydro-6H-furo[3,2-e]indole-6-carboxylate

  • Molecular FormulaC34H53NO5Si
  • Average mass583.874 Da
  • Monoisotopic mass583.369324 Da
  • ChemSpider ID9116125

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,4R,5R,5aR,8aR,8bR)-4-Allyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}décahydro-6H-furo[3,2-e]indole-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
6H-Furo[3,2-e]indole-6-carboxylic acid, decahydro-2-oxo-4-(2-propen-1-yl)-5-[4-[[tris(1-methylethyl)silyl]oxy]butyl]-, phenylmethyl ester, (3aS,4R,5R,5aR,8aR,8bR)- [ACD/Index Name]
Benzyl (3aS,4R,5R,5aR,8aR,8bR)-4-allyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}decahydro-6H-furo[3,2-e]indole-6-carboxylate [ACD/IUPAC Name]
Benzyl-(3aS,4R,5R,5aR,8aR,8bR)-4-allyl-2-oxo-5-{4-[(triisopropylsilyl)oxy]butyl}decahydro-6H-furo[3,2-e]indol-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 234486.41
ACD/KOC (pH 5.5): 242943.45
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 234486.41
ACD/KOC (pH 7.4): 242943.45
Polar Surface Area: 65 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 563.4±3.0 cm3

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