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ChemSpider 2D Image | Methyl (15alpha,16R,19E)-17-oxosarpagan-16-carboxylate | C21H22N2O3

Methyl (15α,16R,19E)-17-oxosarpagan-16-carboxylate

  • Molecular FormulaC21H22N2O3
  • Average mass350.411 Da
  • Monoisotopic mass350.163055 Da
  • ChemSpider ID88293907
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(15α,16R,19E)-17-Oxosarpagan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (15α,16R,19E)-17-oxosarpagan-16-carboxylate [ACD/IUPAC Name]
Methyl-(15α,16R,19E)-17-oxosarpagan-16-carboxylat [German] [ACD/IUPAC Name]
Sarpagan-16-carboxylic acid, 17-oxo-, methyl ester, (15α,16R)- [ACD/Index Name]
Polyneuridine aldehyde

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 52.52
ACD/KOC (pH 5.5): 373.58
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.79
ACD/KOC (pH 7.4): 1805.21
Polar Surface Area: 62 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 261.2±5.0 cm3

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