ChemSpider 2D Image | Convalloside | C35H52O15

Convalloside

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID102672

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[6-Désoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
13473-51-3 [RN]
236-749-7 [EINECS]
Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Convalloside
(3β,5β)-3-((6-Deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3β,5β)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-ox
(3β,5β)-3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 927.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.1±6.0 kJ/mol
Flash Point: 288.6±27.8 °C
Index of Refraction: 1.642
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 242 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 472.5±5.0 cm3

Click to predict properties on the Chemicalize site


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