ChemSpider 2D Image | 8-Hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl (4xi)-6-O-beta-D-glucopyranosyl-beta-D-xylo-hexopyranoside | C28H32O15

8-Hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl (4ξ)-6-O-β-D-glucopyranosyl-β-D-xylo-hexopyranoside

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID91091

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4ξ)-6-O-β-D-Glucopyranosyl-β-D-xylo-hexopyranoside de 8-hydroxy-3-méthoxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
8-Hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl (4ξ)-6-O-β-D-glucopyranosyl-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
8-Hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-(4ξ)-6-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[[(4ξ)-6-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl]oxy]-8-hydroxy-3-methoxy-6-methyl- [ACD/Index Name]
84268-38-2 [RN]
9,10-Anthracenedione, 1-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-8-hydroxy-3-methoxy-6-methyl-
Physcion diglucoside
Physcion-β-D-gentiobioside
Physcion-β-D-glucoside

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

NSC 374115 [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: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 322.5±27.8 °C
Index of Refraction: 1.711
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.93
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 242 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 104.2±5.0 dyne/cm
Molar Volume: 359.1±5.0 cm3

Click to predict properties on the Chemicalize site


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