ChemSpider 2D Image | Bulbineloneside A | C30H28O13

Bulbineloneside A

  • Molecular FormulaC30H28O13
  • Average mass596.536 Da
  • Monoisotopic mass596.153015 Da
  • ChemSpider ID8569169

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Acetyl-2-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)-3-hydroxy-5-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-Acetyl-2-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)-3-hydroxy-5-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[3-acetyl-6-(β-D-glucopyranosyloxy)-2-hydroxy-4-methoxyphenyl]-4,5-dihydroxy-2-methyl- [ACD/Index Name]
Bulbineloneside A
β-D-Glucopyranoside de 4-acétyl-2-(4,5-dihydroxy-2-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényl)-3-hydroxy-5-méthoxyphényle [French] [ACD/IUPAC Name]
(+)-M-knipholone 6'-O-β-D-glucopyranoside
4-acetyl-2-(4,5-dihydroxy-2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-hydroxy-5-methoxyphenyl β-D-glucopyranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 888.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 292.3±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 28.72
ACD/KOC (pH 5.5): 258.79
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

Click to predict properties on the Chemicalize site


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