ChemSpider 2D Image | Allyl 2,3-di-O-benzyl-4,6-bis-O-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]-beta-D-glucopyranoside | C39H56O10

Allyl 2,3-di-O-benzyl-4,6-bis-O-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]-β-D-glucopyranoside

  • Molecular FormulaC39H56O10
  • Average mass684.856 Da
  • Monoisotopic mass684.387329 Da
  • ChemSpider ID9083850

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2,3-Di-O-benzyl-4,6-bis-O-[3-(tétrahydro-2H-pyran-2-yloxy)propyl]-β-D-glucopyranoside d'allyle [French] [ACD/IUPAC Name]
Allyl 2,3-di-O-benzyl-4,6-bis-O-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Allyl-2,3-di-O-benzyl-4,6-bis-O-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-propen-1-yl 2,3-bis-O-(phenylmethyl)-4,6-bis-O-[3-[(tetrahydro-2H-pyran-2-yl)oxy]propyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 270.9±32.8 °C
Index of Refraction: 1.548
Molar Refractivity: 187.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38948.29
ACD/KOC (pH 5.5): 67213.20
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38948.29
ACD/KOC (pH 7.4): 67213.20
Polar Surface Area: 92 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 590.2±5.0 cm3

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