ChemSpider 2D Image | (3beta,5beta,8xi,9xi,12beta)-3-[(2,6-Dideoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-enolide | C30H44O9

(3β,5β,8ξ,9ξ,12β)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-enolide

  • Molecular FormulaC30H44O9
  • Average mass548.665 Da
  • Monoisotopic mass548.298523 Da
  • ChemSpider ID10741

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,12β)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,12β)-3-[(2,6-Didesoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,12β)-3-[(2,6-Didésoxy-3-O-méthyl-α-D-glycéro-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-12,14-dihydroxy-11-oxo-, (3β,5β,8ξ,9ξ,12β)- [ACD/Index Name]
11076-25-8 [RN]
559-58-0 [RN]
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)-12,14-dihydroxy-11-oxo-, (3-β,5-β,12-β)-
Pseudocaudoside (8CI)
ψ-Caudoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 235.7±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.29
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 53.29
Polar Surface Area: 132 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


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