ChemSpider 2D Image | 6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-5-yl 4-C-[(beta-D-glucopyranosyloxy)methyl]-beta-D-xylopyranoside | C26H28N2O12

6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-5-yl 4-C-[(β-D-glucopyranosyloxy)methyl]-β-D-xylopyranoside

  • Molecular FormulaC26H28N2O12
  • Average mass560.507 Da
  • Monoisotopic mass560.164246 Da
  • ChemSpider ID129244719

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-C-[(β-D-Glucopyranosyloxy)méthyl]-β-D-xylopyranoside de 6-oxo-6H-indolo[3,2,1-de][1,5]naphtyridin-5-yle [French] [ACD/IUPAC Name]
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-[[4-C-[(β-D-glucopyranosyloxy)methyl]-β-D-xylopyranosyl]oxy]- [ACD/Index Name]
6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-5-yl 4-C-[(β-D-glucopyranosyloxy)methyl]-β-D-xylopyranoside [ACD/IUPAC Name]
6-Oxo-6H-indolo[3,2,1-de][1,5]naphthyridin-5-yl-4-C-[(β-D-glucopyranosyloxy)methyl]-β-D-xylopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 834.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 458.2±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.68
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.82
Polar Surface Area: 213 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 83.6±7.0 dyne/cm
Molar Volume: 304.4±7.0 cm3

Click to predict properties on the Chemicalize site


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