ChemSpider 2D Image | Methyl 2-O-allyl-4-O-benzyl-3-O-(4-O-benzyl-6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)-6-deoxy-alpha-L-mannopyranoside | C31H42O9

Methyl 2-O-allyl-4-O-benzyl-3-O-(4-O-benzyl-6-deoxy-3-O-methyl-α-L-mannopyranosyl)-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID9246938

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-Allyl-4-O-benzyl-3-O-(4-O-benzyl-6-désoxy-3-O-méthyl-α-L-mannopyranosyl)-6-désoxy-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-O-allyl-4-O-benzyl-3-O-(4-O-benzyl-6-deoxy-3-O-methyl-α-L-mannopyranosyl)-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-2-O-allyl-4-O-benzyl-3-O-(4-O-benzyl-6-desoxy-3-O-methyl-α-L-mannopyranosyl)-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 6-deoxy-3-O-[6-deoxy-3-O-methyl-4-O-(phenylmethyl)-α-L-mannopyranosyl]-4-O-(phenylmethyl)-2-O-2-propen-1-yl- [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: 649.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4103.65
ACD/KOC (pH 5.5): 13424.59
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4103.63
ACD/KOC (pH 7.4): 13424.55
Polar Surface Area: 94 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 468.0±5.0 cm3

Click to predict properties on the Chemicalize site


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