ChemSpider 2D Image | 2-[(2R,4aS,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 6-deoxy-alpha-L-mannopyranoside | C21H38O6

2-[(2R,4aS,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID114814317

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-[(2R,4aS,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-[(2R,4aS,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalinyl]-2-propanyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 2-[(2R,4aS,8R,8aR)-8-hydroxy-4a,8-diméthyldécahydro-2-naphtalényl]-2-propanyle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, 1-[(2R,4aS,8R,8aR)-decahydro-8-hydroxy-4a,8-dimethyl-2-naphthalenyl]-1-methylethyl 6-deoxy- [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: 516.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 266.4±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.08
ACD/KOC (pH 5.5): 488.69
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.08
ACD/KOC (pH 7.4): 488.69
Polar Surface Area: 99 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 324.5±5.0 cm3

Click to predict properties on the Chemicalize site


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