ChemSpider 2D Image | 2-Propyn-1-yl alpha-D-mannopyranoside | C9H14O6

2-Propyn-1-yl α-D-mannopyranoside

  • Molecular FormulaC9H14O6
  • Average mass218.204 Da
  • Monoisotopic mass218.079041 Da
  • ChemSpider ID26232544

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(prop-2-yn-1-yloxy)oxane-3,4,5-triol
2-Propin-1-yl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
2-Propyn-1-yl α-D-mannopyranoside [ACD/IUPAC Name]
854262-01-4 [RN]
α-D-Mannopyranoside de 2-propyn-1-yle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 2-propyn-1-yl [ACD/Index Name]
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(prop-2-yn-1-yloxy)tetrahydro-2H-pyran-3,4,5-triol
2-Propynyl α-D-mannopyranoside
37031-29-1 [RN]
BS-18181
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 452.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 227.5±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 99 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 149.6±5.0 cm3

Click to predict properties on the Chemicalize site


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