ChemSpider 2D Image | (3aR,5R,6S,6aR)-5-(2-Allyl-2H-1,2,3-triazol-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol | C12H17N3O4

(3aR,5R,6S,6aR)-5-(2-Allyl-2H-1,2,3-triazol-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol

  • Molecular FormulaC12H17N3O4
  • Average mass267.281 Da
  • Monoisotopic mass267.121918 Da
  • ChemSpider ID24741118

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5R,6S,6aR)-5-(2-Allyl-2H-1,2,3-triazol-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-(2-Allyl-2H-1,2,3-triazol-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol [German] [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-(2-Allyl-2H-1,2,3-triazol-4-yl)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-6-ol [French] [ACD/IUPAC Name]
Furo[2,3-d]-1,3-dioxol-6-ol, tetrahydro-2,2-dimethyl-5-[2-(2-propen-1-yl)-2H-1,2,3-triazol-4-yl]-, (3aR,5R,6S,6aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 443.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.3±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 73.95
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 73.95
Polar Surface Area: 79 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 180.0±7.0 cm3

Click to predict properties on the Chemicalize site


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