ChemSpider 2D Image | [(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2-hydroxy-2-isopropyl-3-[(~2~H_3_)methyloxy]butanoate | C16H24D3NO5

[(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2-hydroxy-2-isopropyl-3-[(2H3)methyloxy]butanoate

  • Molecular FormulaC16H24D3NO5
  • Average mass316.408 Da
  • Monoisotopic mass316.207764 Da
  • ChemSpider ID58782586

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3R)-2-Hydroxy-2-isopropyl-3-[(2H3)méthyloxy]butanoate de [(1S,7aR)-1-hydroxy-2,3,5,7a-tétrahydro-1H-pyrrolizin-7-yl]méthyle [French] [ACD/IUPAC Name]
[(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2-hydroxy-2-isopropyl-3-[(2H3)methyloxy]butanoate [ACD/IUPAC Name]
[(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl-(2S,3R)-2-hydroxy-2-isopropyl-3-[(2H3)methyloxy]butanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-methyl-2-[(1R)-1-(methyl-d3-oxy)ethyl]-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S)- [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: 450.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.9±6.0 kJ/mol
Flash Point: 226.4±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.17
Polar Surface Area: 79 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 261.4±5.0 cm3

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