ChemSpider 2D Image | Methyl 4-O-[3-O-benzyl-4,6-O-benzylidene-2-O-(2-propyn-1-yl)-beta-D-mannopyranosyl]-6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranoside | C33H40O10

Methyl 4-O-[3-O-benzyl-4,6-O-benzylidene-2-O-(2-propyn-1-yl)-β-D-mannopyranosyl]-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside

  • Molecular FormulaC33H40O10
  • Average mass596.665 Da
  • Monoisotopic mass596.262146 Da
  • ChemSpider ID9730952

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-O-[3-O-Benzyl-4,6-O-benzylidène-2-O-(2-propyn-1-yl)-β-D-mannopyranosyl]-6-désoxy-2,3-O-isopropylidène-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-[3-O-benzyl-4,6-O-benzylidene-2-O-(2-propyn-1-yl)-β-D-mannopyranosyl]-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-4-O-[3-O-benzyl-4,6-O-benzyliden-2-O-(2-propin-1-yl)-β-D-mannopyranosyl]-6-desoxy-2,3-O-isopropyliden-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 6-deoxy-2,3-O-(1-methylethylidene)-4-O-[3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-2-O-(2-propyn-1-yl)-β-D-mannopyranosyl]- [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: 687.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 261.1±31.4 °C
Index of Refraction: 1.579
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 73046.24
ACD/KOC (pH 5.5): 105425.09
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 73046.24
ACD/KOC (pH 7.4): 105425.09
Polar Surface Area: 92 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 467.7±5.0 cm3

Click to predict properties on the Chemicalize site


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