ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C30H46O7

(3β,5β,8ξ,9ξ)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID32868

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(2,6-Didesoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(2,6-Didésoxy-3-O-méthyl-α-D-glycéro-hexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,8ξ,9ξ)- [ACD/Index Name]
31087-87-3 [RN]
Beaumontoside
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-3-O-METHYL-α-L-ARABINO-HEXOPYRANOSYL)OX
Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-β,5-β)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 211.8±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.95
ACD/KOC (pH 5.5): 620.44
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.95
ACD/KOC (pH 7.4): 620.44
Polar Surface Area: 94 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

Click to predict properties on the Chemicalize site


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