ChemSpider 2D Image | (1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 2,3,4-tri-O-acetyl-alpha-D-arabinopyranoside | C31H42O9

(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 2,3,4-tri-O-acetyl-α-D-arabinopyranoside

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID9539917

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl 2,3,4-tri-O-acetyl-α-D-arabinopyranoside [ACD/IUPAC Name]
(1S,3R,7S,9aR)-6-Hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl-2,3,4-tri-O-acetyl-α-D-arabinopyranosid [German] [ACD/IUPAC Name]
2,3,4-Tri-O-acétyl-α-D-arabinopyranoside de (1S,3R,7S,9aR)-6-hydroxy-1,4,7-triméthyl-3-(2-méthyl-1-propén-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phénalén-5-yle [French] [ACD/IUPAC Name]
α-D-Arabinopyranoside, (1S,3R,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, triacetate [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: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 176.6±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92735.10
ACD/KOC (pH 5.5): 125063.15
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92533.52
ACD/KOC (pH 7.4): 124791.28
Polar Surface Area: 118 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 454.2±5.0 cm3

Click to predict properties on the Chemicalize site


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