ChemSpider 2D Image | 2-(β-D-Glucopyranosyloxy)-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one | C16H21NO10

2-(β-D-Glucopyranosyloxy)-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC16H21NO10
  • Average mass387.339 Da
  • Monoisotopic mass387.116547 Da
  • ChemSpider ID103885259

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7,8-dimethoxy- [ACD/Index Name]
40246-09-1 [RN]
7,8-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
7,8-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 7,8-diméthoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 156 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 81.1±5.0 dyne/cm
Molar Volume: 243.6±5.0 cm3

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