ChemSpider 2D Image | Methyl 2-O-allyl-4,6-O-benzylidene-3-O-(2,3,4,6-tetra-O-acetyl-alpha-L-mannopyranosyl)-alpha-D-mannopyranoside | C31H40O15

Methyl 2-O-allyl-4,6-O-benzylidene-3-O-(2,3,4,6-tetra-O-acetyl-α-L-mannopyranosyl)-α-D-mannopyranoside

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID107441467

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-O-Allyl-4,6-O-benzylidène-3-O-(2,3,4,6-tétra-O-acétyl-α-L-mannopyranosyl)-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-O-allyl-4,6-O-benzylidene-3-O-(2,3,4,6-tetra-O-acetyl-α-L-mannopyranosyl)-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-2-O-allyl-4,6-O-benzyliden-3-O-(2,3,4,6-tetra-O-acetyl-α-L-mannopyranosyl)-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 4,6-O-(phenylmethylene)-2-O-2-propen-1-yl-3-O-(2,3,4,6-tetra-O-acetyl-α-L-mannopyranosyl)- [ACD/Index Name]
82185-93-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 281.6±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2050.97
ACD/KOC (pH 5.5): 8171.40
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2050.97
ACD/KOC (pH 7.4): 8171.40
Polar Surface Area: 170 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 495.4±5.0 cm3

Click to predict properties on the Chemicalize site


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