ChemSpider 2D Image | Methyl 13-(1-naphthylamino)podocarpa-8,11,13-trien-15-oate | C28H31NO2

Methyl 13-(1-naphthylamino)podocarpa-8,11,13-trien-15-oate

  • Molecular FormulaC28H31NO2
  • Average mass413.551 Da
  • Monoisotopic mass413.235474 Da
  • ChemSpider ID29403867

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

13-(1-Naphtylamino)podocarpa-8,11,13-trién-15-oate de méthyle [French] [ACD/IUPAC Name]
1408002-93-6 [RN]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-naphthalenylamino)-, methyl ester, (1R,4aS,10aR)- [ACD/Index Name]
Methyl 13-(1-naphthylamino)podocarpa-8,11,13-trien-15-oate [ACD/IUPAC Name]
Methyl-13-(1-naphthylamino)podocarpa-8,11,13-trien-15-oat [German] [ACD/IUPAC 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: 527.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 126.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 214039.97
ACD/KOC (pH 5.5): 227577.13
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 214066.06
ACD/KOC (pH 7.4): 227604.88
Polar Surface Area: 38 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 359.2±3.0 cm3

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