ChemSpider 2D Image | (5beta,8xi,9xi,16beta)-16-Acetoxy-5-(beta-D-glycero-hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide | C32H42O12

(5β,8ξ,9ξ,16β)-16-Acetoxy-5-(β-D-glycero-hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide

  • Molecular FormulaC32H42O12
  • Average mass618.669 Da
  • Monoisotopic mass618.267639 Da
  • ChemSpider ID23746

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

(5β,8ξ,9ξ,16β)-16-Acetoxy-5-(β-D-glycero-hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolid [German] [ACD/IUPAC Name]
(5β,8ξ,9ξ,16β)-16-Acetoxy-5-(β-D-glycero-hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide [ACD/IUPAC Name]
(5β,8ξ,9ξ,16β)-16-Acétoxy-5-(β-D-glycéro-hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-triénolide [French] [ACD/IUPAC Name]
Bufa-3,20,22-trienolide, 16-(acetyloxy)-5-(β-D-glycero-hexopyranosyloxy)-14-hydroxy-19-oxo-, (5β,8ξ,9ξ,16β)- [ACD/Index Name]
11005-49-5 [RN]
4-18-00-03248 [Beilstein]
5-β,16-β-BUFA-3,20,22-TRIENOLIDE, 16-(ACETYLOXY)-5-(β-D-GLUCOPYRANOSYLO
5-β,16-β-Bufa-3,20,22-trienolide, 16-(acetyloxy)-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-
Scillicyanosid [German]
Scillicyanoside

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

BRN 0075059 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 798.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 254.6±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.08
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.08
Polar Surface Area: 189 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 426.2±5.0 cm3

Click to predict properties on the Chemicalize site


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