ChemSpider 2D Image | N-Benzyl-2-[(3R,4aR,6aR,7S,8R,10bR)-3-benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]acetamide | C30H39NO4

N-Benzyl-2-[(3R,4aR,6aR,7S,8R,10bR)-3-benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]acetamide

  • Molecular FormulaC30H39NO4
  • Average mass477.635 Da
  • Monoisotopic mass477.287903 Da
  • ChemSpider ID21388898
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

1H-Naphtho[2,1-d][1,3]dioxin-7-acetamide, decahydro-8-hydroxy-6a,10b-dimethyl-N,3-bis(phenylmethyl)-, (3R,4aR,6aR,7S,8R,10bR)- [ACD/Index Name]
N-Benzyl-2-[(3R,4aR,6aR,7S,8R,10bR)-3-benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[(3R,4aR,6aR,7S,8R,10bR)-3-benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]acetamide [ACD/IUPAC Name]
N-Benzyl-2-[(3R,4aR,6aR,7S,8R,10bR)-3-benzyl-8-hydroxy-6a,10b-diméthyldécahydro-1H-naphto[2,1-d][1,3]dioxin-7-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.8±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1887.77
ACD/KOC (pH 5.5): 7700.53
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1887.77
ACD/KOC (pH 7.4): 7700.53
Polar Surface Area: 68 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 418.0±3.0 cm3

Click to predict properties on the Chemicalize site






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