ChemSpider 2D Image | (3beta,5beta,8xi,9xi,12beta,16beta)-16-Acetoxy-3-[(2,6-dideoxy-4-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide | C32H48O10

(3β,5β,8ξ,9ξ,12β,16β)-16-Acetoxy-3-[(2,6-dideoxy-4-O-methyl-α-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID5140965
  • defined stereocentres - 12 of 14 defined stereocentres


More details:






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

(3β,5β,8ξ,9ξ,12β,16β)-16-Acetoxy-3-[(2,6-dideoxy-4-O-methyl-α-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,12β,16β)-16-Acetoxy-3-[(2,6-didesoxy-4-O-methyl-α-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,12β,16β)-16-Acétoxy-3-[(2,6-didésoxy-4-O-méthyl-α-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-4-O-methyl-α-L-arabino-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,8ξ,9ξ,12β,16β)- [ACD/Index Name]

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

DivK1c_007022 [DBID]
KBio1_001966 [DBID]
SpecPlus_000926 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 229.8±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 129.63
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 129.63
Polar Surface Area: 141 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 455.0±5.0 cm3

Click to predict properties on the Chemicalize site






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