ChemSpider 2D Image | Methyl (1R,2R,3S,5S,7R)-2-acetamido-3-(benzoyloxy)-7-[(1R)-2-(benzoyloxy)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate | C26H27NO10

Methyl (1R,2R,3S,5S,7R)-2-acetamido-3-(benzoyloxy)-7-[(1R)-2-(benzoyloxy)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate

  • Molecular FormulaC26H27NO10
  • Average mass513.493 Da
  • Monoisotopic mass513.163513 Da
  • ChemSpider ID8589514

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,5S,7R)-2-Acétamido-3-(benzoyloxy)-7-[(1R)-2-(benzoyloxy)-1-hydroxyéthyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1R,2R,3S,5S,7R)-2-acetamido-3-(benzoyloxy)-7-[(1R)-2-(benzoyloxy)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3S,5S,7R)-2-acetamido-3-(benzoyloxy)-7-[(1R)-2-(benzoyloxy)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.57
ACD/KOC (pH 5.5): 1530.67
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.57
ACD/KOC (pH 7.4): 1530.66
Polar Surface Area: 147 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

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