ChemSpider 2D Image | alpha-L-threo-hexopyranoside, (1S,3S,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy- | C26H38O6

α-L-threo-hexopyranoside, (1S,3S,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy-

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID21431298
  • defined stereocentres - 7 of 9 defined stereocentres


More details:






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

α-L-threo-hexopyranoside, (1S,3S,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5190.10
ACD/KOC (pH 5.5): 15882.27
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5179.93
ACD/KOC (pH 7.4): 15851.13
Polar Surface Area: 99 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 363.3±3.0 cm3

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