ChemSpider 2D Image | (3R,7R,9S,9aR)-5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 2-O-acetyl-6-deoxy-alpha-L-galactopyranoside | C28H40O7

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

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID29394162
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3R,7R,9S,9aR)-5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl 2-O-acetyl-6-deoxy-α-L-galactopyranoside [ACD/IUPAC Name]
(3R,7R,9S,9aR)-5-Hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl-2-O-acetyl-6-desoxy-α-L-galactopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-désoxy-α-L-galactopyranoside de (3R,7R,9S,9aR)-5-hydroxy-3,6,9-triméthyl-7-(2-méthyl-1-propén-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phénalén-4-yle [French] [ACD/IUPAC Name]
α-L-Galactopyranoside, (3R,7R,9S,9aR)-2,3,7,8,9,9a-hexahydro-5-hydroxy-3,6,9-trimethyl-7-(2-methyl-1-propen-1-yl)-1H-phenalen-4-yl 6-deoxy-, 2-acetate [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: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 192.9±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10046.40
ACD/KOC (pH 5.5): 25481.37
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10011.48
ACD/KOC (pH 7.4): 25392.81
Polar Surface Area: 105 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

Click to predict properties on the Chemicalize site






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