ChemSpider 2D Image | (3beta,5beta,16beta)-16-Acetoxy-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C32H48O9

(3β,5β,16β)-16-Acetoxy-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID229992

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(3β,5β,16β)-16-Acetoxy-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3-[(2,6-didesoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3-[(2,6-didésoxy-3-O-méthylhexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-

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

NSC692219 [DBID]
NSC95089 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.48
ACD/KOC (pH 5.5): 483.38
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.48
ACD/KOC (pH 7.4): 483.38
Polar Surface Area: 121 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 457.2±5.0 cm3

Click to predict properties on the Chemicalize site


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