ChemSpider 2D Image | 3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside | C14H17NO8

3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside

  • Molecular FormulaC14H17NO8
  • Average mass327.287 Da
  • Monoisotopic mass327.095428 Da
  • ChemSpider ID67158141

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)- [ACD/Index Name]
3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yle [French] [ACD/IUPAC Name]
2-??-d-glucopyranosyloxy-1,4-benzoxazin-3-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 648.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.8±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.42
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 138 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 88.6±5.0 dyne/cm
Molar Volume: 200.0±5.0 cm3

Click to predict properties on the Chemicalize site


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