ChemSpider 2D Image | 2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl alpha-D-mannopyranoside | C21H30O8

2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl α-D-mannopyranoside

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID113611475

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1H-Inden-1-one, 2,3-dihydro-3-hydroxy-6-[2-(α-D-mannopyranosyloxy)ethyl]-2,2,5,7-tetramethyl-, (3S)- [ACD/Index Name]
2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl α-D-mannopyranoside [ACD/IUPAC Name]
2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside de 2-[(1S)-1-hydroxy-2,2,4,6-tétraméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl]éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 227.9±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.96
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.96
Polar Surface Area: 137 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 296.0±5.0 cm3

Click to predict properties on the Chemicalize site


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