ChemSpider 2D Image | (2alpha,3beta,5alpha)-3-{[3,5-Dideoxy-2-C-(methoxycarbonyl)-beta-D-erythro-pentofuranosyl]oxy}-2,14,19-trihydroxy-19-oxocard-20(22)-enolide | C30H42O11

(2α,3β,5α)-3-{[3,5-Dideoxy-2-C-(methoxycarbonyl)-β-D-erythro-pentofuranosyl]oxy}-2,14,19-trihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC30H42O11
  • Average mass578.648 Da
  • Monoisotopic mass578.272705 Da
  • ChemSpider ID9687385

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β,5α)-3-{[3,5-Dideoxy-2-C-(methoxycarbonyl)-β-D-erythro-pentofuranosyl]oxy}-2,14,19-trihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(2α,3β,5α)-3-{[3,5-Didesoxy-2-C-(methoxycarbonyl)-β-D-erythro-pentofuranosyl]oxy}-2,14,19-trihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(2α,3β,5α)-3-{[3,5-Didésoxy-2-C-(méthoxycarbonyl)-β-D-érythro-pentofuranosyl]oxy}-2,14,19-trihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[3,5-dideoxy-2-C-(methoxycarbonyl)-β-D-erythro-pentofuranosyl]oxy]-2,14,19-trihydroxy-19-oxo-, (2α,3β,5α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.1±6.0 kJ/mol
Flash Point: 247.0±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 409.5±5.0 cm3

Click to predict properties on the Chemicalize site


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