ChemSpider 2D Image | 2-[(2R)-2,4,6-Trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl beta-D-mannopyranoside | C20H28O7

2-[(2R)-2,4,6-Trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl β-D-mannopyranoside

  • Molecular FormulaC20H28O7
  • Average mass380.432 Da
  • Monoisotopic mass380.183502 Da
  • ChemSpider ID127384470

  • 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-6-[2-(β-D-mannopyranosyloxy)ethyl]-2,5,7-trimethyl-, (2R)- [ACD/Index Name]
2-[(2R)-2,4,6-Trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl β-D-mannopyranoside [ACD/IUPAC Name]
2-[(2R)-2,4,6-Trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside de 2-[(2R)-2,4,6-triméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl]éthyle [French] [ACD/IUPAC Name]
(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
29774-74-1 [RN]
Pteroside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 218.6±25.0 °C
Index of Refraction: 1.604
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.50
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.50
Polar Surface Area: 116 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 282.1±5.0 cm3

Click to predict properties on the Chemicalize site


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