ChemSpider 2D Image | [(1S,7aR)-1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3R)-2-hydroxy-2-isopropyl-3-methoxybutanoate | C16H27NO6

[(1S,7aR)-1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3R)-2-hydroxy-2-isopropyl-3-methoxybutanoate

  • Molecular FormulaC16H27NO6
  • Average mass329.389 Da
  • Monoisotopic mass329.183838 Da
  • ChemSpider ID113590168

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,3R)-2-Hydroxy-2-isopropyl-3-méthoxybutanoate de [(1S,7aR)-1-hydroxy-4-oxydo-2,3,5,7a-tétrahydro-1H-pyrrolizin-7-yl]méthyle [French] [ACD/IUPAC Name]
[(1S,7aR)-1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3R)-2-hydroxy-2-isopropyl-3-methoxybutanoate [ACD/IUPAC Name]
[(1S,7aR)-1-Hydroxy-4-oxido-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl-(2R,3R)-2-hydroxy-2-isopropyl-3-methoxybutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester, (2R,3R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.46
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

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