ChemSpider 2D Image | (2S)-4,7-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside | C16H21NO10

(2S)-4,7-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside

  • Molecular FormulaC16H21NO10
  • Average mass387.339 Da
  • Monoisotopic mass387.116547 Da
  • ChemSpider ID29814482

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-4,7-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-4,7-Dimethoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-4,7-dimethoxy-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S)-4,7-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: 621.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.6±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.30
Polar Surface Area: 147 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 242.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement