ChemSpider 2D Image | (3beta,5beta,8xi,9xi,10xi,13xi,17xi)-3-{[4-O-(beta-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-beta-D-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C36H56O12

(3β,5β,8ξ,9ξ,10ξ,13ξ,17ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC36H56O12
  • Average mass680.823 Da
  • Monoisotopic mass680.377197 Da
  • ChemSpider ID4885028

  • defined stereocentres - 12 of 17 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,10ξ,13ξ,17ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,10ξ,13ξ,17ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-didesoxy-3-O-methyl-β-D-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,10ξ,13ξ,17ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-didésoxy-3-O-méthyl-β-D-xylo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-β-D-allopyranosyl-2,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,8ξ,9ξ,10ξ,13ξ,17ξ)- [ACD/Index Name]
Odoroside D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.0±6.0 kJ/mol
Flash Point: 252.2±27.8 °C
Index of Refraction: 1.596
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 79.25
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 79.25
Polar Surface Area: 174 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 505.7±5.0 cm3

Click to predict properties on the Chemicalize site


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