ChemSpider 2D Image | 2-[(3R,4aR,6aR,7S,8R,10bR)-3-Benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-N-(2-thienylmethyl)acetamide | C28H37NO4S

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

  • Molecular FormulaC28H37NO4S
  • Average mass483.663 Da
  • Monoisotopic mass483.244324 Da
  • ChemSpider ID21388905

  • 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-3-(phenylmethyl)-N-(2-thienylmethyl)-, (3R,4aR,6aR,7S,8R,10bR)- [ACD/Index Name]
2-[(3R,4aR,6aR,7S,8R,10bR)-3-Benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-N-(2-thienylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[(3R,4aR,6aR,7S,8R,10bR)-3-Benzyl-8-hydroxy-6a,10b-dimethyldecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]-N-(2-thienylmethyl)acetamide [ACD/IUPAC Name]
2-[(3R,4aR,6aR,7S,8R,10bR)-3-Benzyl-8-hydroxy-6a,10b-diméthyldécahydro-1H-naphto[2,1-d][1,3]dioxin-7-yl]-N-(2-thiénylméthyl)acétamide [French] [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: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1114.48
ACD/KOC (pH 5.5): 5280.72
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1114.48
ACD/KOC (pH 7.4): 5280.72
Polar Surface Area: 96 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 407.5±3.0 cm3

Click to predict properties on the Chemicalize site


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