ChemSpider 2D Image | 5-{4-[(2R,4aS,10bS)-7-Methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl]-1-piperidinyl}-3,3-dimethyl-5-oxopentanoic acid | C27H39NO6

5-{4-[(2R,4aS,10bS)-7-Methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl]-1-piperidinyl}-3,3-dimethyl-5-oxopentanoic acid

  • Molecular FormulaC27H39NO6
  • Average mass473.602 Da
  • Monoisotopic mass473.277740 Da
  • ChemSpider ID60585330

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Piperidinepentanoic acid, β,β-dimethyl-δ-oxo-4-[(2R,4aS,10bS)-3,4,4a,10b-tetrahydro-7-methoxy-5,5-dimethyl-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl]- [ACD/Index Name]
5-{4-[(2R,4aS,10bS)-7-Methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl]-1-piperidinyl}-3,3-dimethyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-{4-[(2R,4aS,10bS)-7-Methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl]-1-piperidinyl}-3,3-dimethyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{4-[(2R,4aS,10bS)-7-méthoxy-5,5-diméthyl-3,4,4a,10b-tétrahydro-2H,5H-pyrano[3,2-c]chromén-2-yl]-1-pipéridinyl}-3,3-diméthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.0±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 190.53
ACD/KOC (pH 5.5): 848.22
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 13.43
Polar Surface Area: 85 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 412.4±3.0 cm3

Click to predict properties on the Chemicalize site


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