ChemSpider 2D Image | 2-Methyl-2-propanyl (2'R,4a'R,10b'R)-9'-(3-methoxy-3-oxopropyl)-2'-methyl-3',4',4a',10b'-tetrahydro-1H,2'H-spiro[piperidine-4,5'-pyrano[3,2-c]chromene]-1-carboxylate | C26H37NO6

2-Methyl-2-propanyl (2'R,4a'R,10b'R)-9'-(3-methoxy-3-oxopropyl)-2'-methyl-3',4',4a',10b'-tetrahydro-1H,2'H-spiro[piperidine-4,5'-pyrano[3,2-c]chromene]-1-carboxylate

  • Molecular FormulaC26H37NO6
  • Average mass459.575 Da
  • Monoisotopic mass459.262085 Da
  • ChemSpider ID60575361

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl (2'R,4a'R,10b'R)-9'-(3-methoxy-3-oxopropyl)-2'-methyl-3',4',4a',10b'-tetrahydro-1H,2'H-spiro[piperidine-4,5'-pyrano[3,2-c]chromene]-1-carboxylate [ACD/IUPAC Name]
Spiro[piperidine-4,5'-[2H,5H]pyrano[3,2-c][1]benzopyran]-9'-propanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3',4',4'a,10'b-tetrahydro-2'-methyl-, methyl ester, (2'R,4'aR,10'bR)- [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: 557.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3046.19
ACD/KOC (pH 5.5): 10845.97
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3046.19
ACD/KOC (pH 7.4): 10845.97
Polar Surface Area: 74 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 386.0±5.0 cm3

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