ChemSpider 2D Image | glucofrangulin A | C27H30O14

glucofrangulin A

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID16735833
  • defined stereocentres - 10 of 10 defined stereocentres


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

glucofrangulin A
21133-53-9 [RN]
244-234-3 [EINECS]
3-((6-Deoxy-α-L-mannopyranosyl)oxy)-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone
3-[(6-Deoxy-a-L-mannopyranosyl)oxy]-1-(b-D-glucopyranosyloxy)-8-hydroxy-6-methyl-9,10-anthracenedione
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl β-D-glucopyranoside
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methyl- [ACD/Index Name]
β-D-Glucopyranoside de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MB7V137HOF [DBID]
UNII:MB7V137HOF [DBID]
UNII-MB7V137HOF [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 959.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.4±3.0 kJ/mol
Flash Point: 319.8±27.8 °C
Index of Refraction: 1.702
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.98
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 233 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 93.6±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

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