ChemSpider 2D Image | Methyl (3aR,4R,9bS)-4-hydroxy-2,2-dimethyl-3a,4,5,9b-tetrahydro[1,3]dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridine-9-carboxylate | C11H15N3O5

Methyl (3aR,4R,9bS)-4-hydroxy-2,2-dimethyl-3a,4,5,9b-tetrahydro[1,3]dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridine-9-carboxylate

  • Molecular FormulaC11H15N3O5
  • Average mass269.254 Da
  • Monoisotopic mass269.101166 Da
  • ChemSpider ID24741813

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,9bS)-4-Hydroxy-2,2-diméthyl-3a,4,5,9b-tétrahydro[1,3]dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridine-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,3-Dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridine-9-carboxylic acid, 3a,4,5,9b-tetrahydro-4-hydroxy-2,2-dimethyl-, methyl ester, (3aR,4R,9bS)- [ACD/Index Name]
Methyl (3aR,4R,9bS)-4-hydroxy-2,2-dimethyl-3a,4,5,9b-tetrahydro[1,3]dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridine-9-carboxylate [ACD/IUPAC Name]
Methyl-(3aR,4R,9bS)-4-hydroxy-2,2-dimethyl-3a,4,5,9b-tetrahydro[1,3]dioxolo[4,5-c][1,2,3]triazolo[1,5-a]pyridin-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 470.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.2±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.34
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.34
Polar Surface Area: 96 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 161.2±7.0 cm3

Click to predict properties on the Chemicalize site


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