ChemSpider 2D Image | (3beta)-3-(beta-D-Glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide | C30H42O10

(3β)-3-(β-D-Glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID183675

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-3-(β-D-Glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
Bufa-4,20,22-trienolide, 3-(β-D-glucopyranosyloxy)-8,14-dihydroxy-, (3β)- [ACD/Index Name]
23604-99-1 [RN]
5-[(3S,8S,9R,10R,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Bufa-4,20,22-trienolide, 3-(β-D-glucopyranosyloxy)-8,14-dihydroxy-, (3-β)-
Bufa-4,20,22-trienolide, 3-(β-D-glucopyranosyloxy)-8,14-dihydroxy-, (3-β)- (9CI)
Scillirubroside

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

BRN 1277856 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.7±6.0 kJ/mol
Flash Point: 249.5±26.4 °C
Index of Refraction: 1.649
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.57
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.57
Polar Surface Area: 166 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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