ChemSpider 2D Image | 6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C26H28N2O12

6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H28N2O12
  • Average mass560.507 Da
  • Monoisotopic mass560.164246 Da
  • ChemSpider ID165822

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 11-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 11-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-11-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 6-oxo-6H-indolo[3,2,1-de][1,5]naphtyridin-11-yle [French] [ACD/IUPAC Name]
11-O-Glucopyranosyl-1-6-glucopyranosylcanthin-6-one
159194-90-8 [RN]
Bruceolline A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.789
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.15
Polar Surface Area: 213 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 84.1±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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