Found 29 results

Search term: MF = 'C_{26}H_{47}NO_{3}'
ChemSpider 2D Image | 2-(Diethylamino)ethyl (3S)-5-[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoate | C26H47NO3

2-(Diethylamino)ethyl (3S)-5-[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoate

  • Molecular FormulaC26H47NO3
  • Average mass421.656 Da
  • Monoisotopic mass421.355591 Da
  • ChemSpider ID58108226

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-5-[(1R,4aS,8aS)-2-(Hydroxyméthyl)-5,5,8a-triméthyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-3-méthylpentanoate de 2-(diéthylamino)éthyle [French] [ACD/IUPAC Name]
1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-β,5,5,8a-tetramethyl-, 2-(diethylamino)ethyl ester, (βS,1R,4aS,8aS)- [ACD/Index Name]
2-(Diethylamino)ethyl (3S)-5-[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoate [ACD/IUPAC Name]
2-(Diethylamino)ethyl-(3S)-5-[(1R,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-3-methylpentanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 502.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 257.6±23.2 °C
Index of Refraction: 1.486
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 54.42
ACD/KOC (pH 5.5): 84.78
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 833.04
ACD/KOC (pH 7.4): 1297.70
Polar Surface Area: 50 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 435.2±3.0 cm3

Click to predict properties on the Chemicalize site


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