ChemSpider 2D Image | Methyl (7beta,15alpha,16xi,17R,19E)-17-hydroxy-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate | C21H24N2O3

Methyl (7β,15α,16ξ,17R,19E)-17-hydroxy-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID81422429

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(7β,15α,16ξ,17R,19E)-17-Hydroxy-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
7,17-Cyclosarpagan-16-carboxylic acid, 2,7-dihydro-17-hydroxy-, methyl ester, (7β,15α,16ξ,17R)- [ACD/Index Name]
Methyl (7β,15α,16ξ,17R,19E)-17-hydroxy-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate [ACD/IUPAC Name]
Methyl-(7β,15α,16ξ,17R,19E)-17-hydroxy-2,7-dihydro-7,17-cyclosarpagan-16-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.32
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 192.46
Polar Surface Area: 62 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

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