ChemSpider 2D Image | Methyl 2,3,6-tri-O-benzyl-4-O-[6-deoxy-3,4-O-(oxomethylene)-2-O-(2-propyn-1-yl)-alpha-L-mannopyranosyl]-alpha-D-glucopyranoside | C38H42O11

Methyl 2,3,6-tri-O-benzyl-4-O-[6-deoxy-3,4-O-(oxomethylene)-2-O-(2-propyn-1-yl)-α-L-mannopyranosyl]-α-D-glucopyranoside

  • Molecular FormulaC38H42O11
  • Average mass674.734 Da
  • Monoisotopic mass674.272705 Da
  • ChemSpider ID9680515

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,3,6-Tri-O-benzyl-4-O-[6-désoxy-3,4-O-(oxométhylène)-2-O-(2-propyn-1-yl)-α-L-mannopyranosyl]-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,6-tri-O-benzyl-4-O-[6-deoxy-3,4-O-(oxomethylene)-2-O-(2-propyn-1-yl)-α-L-mannopyranosyl]-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2,3,6-tri-O-benzyl-4-O-[6-desoxy-3,4-O-(oxomethylen)-2-O-(2-propin-1-yl)-α-L-mannopyranosyl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl 4-O-[3,4-O-carbonyl-6-deoxy-2-O-(2-propyn-1-yl)-α-L-mannopyranosyl]-2,3,6-tris-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: 798.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 324.5±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80627.14
ACD/KOC (pH 5.5): 113145.93
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80627.14
ACD/KOC (pH 7.4): 113145.93
Polar Surface Area: 109 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 524.2±5.0 cm3

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