ChemSpider 2D Image | (8xi,14xi,17alpha)-3-[(3,4-Di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide | C33H45NO10

(8ξ,14ξ,17α)-3-[(3,4-Di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide

  • Molecular FormulaC33H45NO10
  • Average mass615.711 Da
  • Monoisotopic mass615.304321 Da
  • ChemSpider ID17472793

  • defined stereocentres - 4 of 12 defined stereocentres

More details:

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

(8ξ,14ξ,17α)-3-[(3,4-Di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide [ACD/IUPAC Name]
(8ξ,14ξ,17α)-3-[(3,4-Di-O-acetyl-2,6-didesoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolid [German] [ACD/IUPAC Name]
(8ξ,14ξ,17α)-3-[(3,4-Di-O-acétyl-2,6-didésoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(3,4-di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilo-, (8ξ,14ξ,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 412.7±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.21
ACD/KOC (pH 5.5): 196.25
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.21
ACD/KOC (pH 7.4): 196.25
Polar Surface Area: 162 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 462.6±5.0 cm3

Click to predict properties on the Chemicalize site


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