ChemSpider 2D Image | 1,5-Anhydro-3,6-di-O-benzyl-4-O-[6-O-benzyl-3,4-O-(oxomethylene)-beta-D-galactopyranosyl]-2-deoxy-D-arabino-hex-1-enitol | C34H36O10

1,5-Anhydro-3,6-di-O-benzyl-4-O-[6-O-benzyl-3,4-O-(oxomethylene)-β-D-galactopyranosyl]-2-deoxy-D-arabino-hex-1-enitol

  • Molecular FormulaC34H36O10
  • Average mass604.644 Da
  • Monoisotopic mass604.230835 Da
  • ChemSpider ID9225454

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,5-Anhydro-3,6-di-O-benzyl-4-O-[6-O-benzyl-3,4-O-(oxomethylen)-β-D-galactopyranosyl]-2-desoxy-D-arabino-hex-1-enitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3,6-di-O-benzyl-4-O-[6-O-benzyl-3,4-O-(oxomethylene)-β-D-galactopyranosyl]-2-deoxy-D-arabino-hex-1-enitol [ACD/IUPAC Name]
1,5-Anhydro-3,6-di-O-benzyl-4-O-[6-O-benzyl-3,4-O-(oxométhylène)-β-D-galactopyranosyl]-2-désoxy-D-arabino-hex-1-énitol [French] [ACD/IUPAC Name]
D-arabino-Hex-1-enitol, 1,5-anhydro-4-O-[3,4-O-carbonyl-6-O-(phenylmethyl)-β-D-galactopyranosyl]-2-deoxy-3,6-bis-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 250.4±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1205.71
ACD/KOC (pH 5.5): 5586.67
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1205.69
ACD/KOC (pH 7.4): 5586.58
Polar Surface Area: 111 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 452.7±5.0 cm3

Click to predict properties on the Chemicalize site


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