ChemSpider 2D Image | Benzyl (4aS,6aS,6bR,8aR,9R,13aR,13bR,15bS)-9-(hydroxymethyl)-2,2,6a,6b,9,13a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate | C38H51NO4

Benzyl (4aS,6aS,6bR,8aR,9R,13aR,13bR,15bS)-9-(hydroxymethyl)-2,2,6a,6b,9,13a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate

  • Molecular FormulaC38H51NO4
  • Average mass585.816 Da
  • Monoisotopic mass585.381836 Da
  • ChemSpider ID129233824

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aS,6aS,6bR,8aR,9R,13aR,13bR,15bS)-9-(Hydroxyméthyl)-2,2,6a,6b,9,13a-hexaméthyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadécahydropicéno[2,3-d][1,2]oxazole-4a(2H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (4aS,6aS,6bR,8aR,9R,13aR,13bR,15bS)-9-(hydroxymethyl)-2,2,6a,6b,9,13a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate [ACD/IUPAC Name]
Benzyl-(4aS,6aS,6bR,8aR,9R,13aR,13bR,15bS)-9-(hydroxymethyl)-2,2,6a,6b,9,13a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazol-4a(2H)-carboxylat [German] [ACD/IUPAC Name]
Piceno[2,3-d]isoxazole-4a(2H)-carboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydro-9-(hydroxymethyl)-2,2,6a,6b,9,13a-hexamethyl-, phenylmethyl ester, (4aS,6aS,6bR,8aR,9R,13aR,13bR ,15bS)- [ACD/Index 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: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.04
ACD/LogD (pH 5.5): 9.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4575776.00
ACD/LogD (pH 7.4): 9.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4575776.00
Polar Surface Area: 73 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 498.4±5.0 cm3

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