ChemSpider 2D Image | 2-O-Acryloyl-3,6-bis-O-(3-nitropropanoyl)-alpha-D-allopyranose | C15H20N2O13

2-O-Acryloyl-3,6-bis-O-(3-nitropropanoyl)-α-D-allopyranose

  • Molecular FormulaC15H20N2O13
  • Average mass436.325 Da
  • Monoisotopic mass436.096527 Da
  • ChemSpider ID28283136

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
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2-O-Acryloyl-3,6-bis-O-(3-nitropropanoyl)-α-D-allopyranose [German] [ACD/IUPAC Name]
2-O-Acryloyl-3,6-bis-O-(3-nitropropanoyl)-α-D-allopyranose [ACD/IUPAC Name]
2-O-Acryloyl-3,6-bis-O-(3-nitropropanoyl)-α-D-allopyranose [French] [ACD/IUPAC Name]
α-D-Allopyranose, 2-O-(1-oxo-2-propen-1-yl)-, 3,6-bis(3-nitropropanoate) [ACD/Index Name]
kirilowin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 347.3±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.94
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.25
Polar Surface Area: 220 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

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