ChemSpider 2D Image | GLUCOFRANGULIN B | C26H28O14

GLUCOFRANGULIN B

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID30791740

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

14062-59-0 [RN]
237-908-3 [EINECS]
3-{[(3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-3-furanyl]oxy}-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[(3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-3-furanyl]oxy}-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methyl-3-[[(3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-3-furanyl]oxy]- [ACD/Index Name]
GLUCOFRANGULIN B
β-D-Glucopyranoside de 3-{[(3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}-8-hydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]

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

45K8JI0W31 [DBID]
UNII:45K8JI0W31 [DBID]
UNII-45K8JI0W31 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 965.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 324.5±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 102.2±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


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