ChemSpider 2D Image | 1,6-O-{(1S,2R,6R)-6-[(1S,4aS,8aR)-4,7-Dimethyl-1,2,4a,5,6,8a-hexahydro-1-naphthalenyl]-2-methylheptylidene}-beta-D-glucopyranose | C26H42O6

1,6-O-{(1S,2R,6R)-6-[(1S,4aS,8aR)-4,7-Dimethyl-1,2,4a,5,6,8a-hexahydro-1-naphthalenyl]-2-methylheptylidene}-β-D-glucopyranose

  • Molecular FormulaC26H42O6
  • Average mass450.608 Da
  • Monoisotopic mass450.298126 Da
  • ChemSpider ID29216380

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1,6-O-{(1S,2R,6R)-6-[(1S,4aS,8aR)-4,7-Diméthyl-1,2,4a,5,6,8a-hexahydro-1-naphtalényl]-2-méthylheptylidène}-β-D-glucopyranose [French] [ACD/IUPAC Name]
1,6-O-{(1S,2R,6R)-6-[(1S,4aS,8aR)-4,7-Dimethyl-1,2,4a,5,6,8a-hexahydro-1-naphthalenyl]-2-methylheptylidene}-β-D-glucopyranose [ACD/IUPAC Name]
1,6-O-{(1S,2R,6R)-6-[(1S,4aS,8aR)-4,7-Dimethyl-1,2,4a,5,6,8a-hexahydro-1-naphthalinyl]-2-methylheptyliden}-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranose, 1,6-O-[(1S,2R,6R)-6-[(1S,4aS,8aR)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-naphthalenyl]-2-methylheptylidene]- [ACD/Index Name]
lemnabourside

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16728.20
ACD/KOC (pH 5.5): 36705.58
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16728.11
ACD/KOC (pH 7.4): 36705.38
Polar Surface Area: 88 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

Click to predict properties on the Chemicalize site


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