ChemSpider 2D Image | (3alpha,5beta,8xi,9xi)-3-[(6-Deoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide | C30H46O10

(3α,5β,8ξ,9ξ)-3-[(6-Deoxy-3-O-methyl-β-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O10
  • Average mass566.680 Da
  • Monoisotopic mass566.309082 Da
  • ChemSpider ID10141787

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

(3α,5β,8ξ,9ξ)-3-[(6-Deoxy-3-O-methyl-β-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,5β,8ξ,9ξ)-3-[(6-Desoxy-3-O-methyl-β-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5β,8ξ,9ξ)-3-[(6-Désoxy-3-O-méthyl-β-D-glycéro-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-β-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3α,5β,8ξ,9ξ)- [ACD/Index Name]
15465-83-5 [RN]
5-β-CARD-20(22)-ENOLIDE, 3-β-((6-DEOXY-3-O-METHYL-β-D-GLUCOPYRANOSYL)OX
5-β-Card-20(22)-enolide, 3-β-((6-deoxy-3-O-methyl-β-D-glucopyranosyl)oxy)-5,14,19-trihydroxy-
al-Dihydrostrophothevoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 247.9±26.4 °C
Index of Refraction: 1.607
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.83
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.83
Polar Surface Area: 155 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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