ChemSpider 2D Image | Methyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[4-(di-1H-pyrrol-2-ylmethyl)benzoyl]amino}-beta-D-glucopyranoside | C29H33N3O9

Methyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[4-(di-1H-pyrrol-2-ylmethyl)benzoyl]amino}-β-D-glucopyranoside

  • Molecular FormulaC29H33N3O9
  • Average mass567.587 Da
  • Monoisotopic mass567.221680 Da
  • ChemSpider ID9810235

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,4,6-Tri-O-acétyl-2-désoxy-2-{[4-(di-1H-pyrrol-2-ylméthyl)benzoyl]amino}-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[4-(di-1H-pyrrol-2-ylmethyl)benzoyl]amino}-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-3,4,6-tri-O-acetyl-2-desoxy-2-{[4-(di-1H-pyrrol-2-ylmethyl)benzoyl]amino}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl 2-deoxy-2-[[4-(di-1H-pyrrol-2-ylmethyl)benzoyl]amino]-, 3,4,6-triacetate [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: 746.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.14
ACD/KOC (pH 5.5): 589.88
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.14
ACD/KOC (pH 7.4): 589.86
Polar Surface Area: 158 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 421.9±5.0 cm3

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