ChemSpider 2D Image | [(1R,7aS)-4-Oxidohexahydro-1H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-isopropylbutanoate | C15H27NO5

[(1R,7aS)-4-Oxidohexahydro-1H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-isopropylbutanoate

  • Molecular FormulaC15H27NO5
  • Average mass301.379 Da
  • Monoisotopic mass301.188934 Da
  • ChemSpider ID21472362

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

[(1R,7aS)-4-Oxidohexahydro-1H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-isopropylbutanoate [ACD/IUPAC Name]
[(1R,7aS)-4-Oxidohexahydro-1H-pyrrolizin-1-yl]methyl-2,3-dihydroxy-2-isopropylbutanoat [German] [ACD/IUPAC Name]
2,3-Dihydroxy-2-isopropylbutanoate de [(1R,7aS)-4-oxydohexahydro-1H-pyrrolizin-1-yl]méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aS)-hexahydro-4-oxido-1H-pyrrolizin-1-yl]methyl ester [ACD/Index Name]
[(1R,7aS)-4-oxidohexahydro-1H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.99
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.34
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

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