ChemSpider 2D Image | Rubiadin-primveroside | C26H28O13

Rubiadin-primveroside

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID21249232

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

26388-47-6 [RN]
4-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 4-hydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-hydroxy-2-methyl-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
Rubiadin-primveroside
RUBIADINPRIMVEROSIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 894.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 301.8±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 45.99
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.81
Polar Surface Area: 213 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 323.7±5.0 cm3

Click to predict properties on the Chemicalize site


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