ChemSpider 2D Image | [(2S,3R,4R,4aS,8aR)-3-[(1S)-1-Acetoxyethyl]-4-{(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]vinyl}decahydro-2-naphthalenyl]methyl acetate | C26H43NO4

[(2S,3R,4R,4aS,8aR)-3-[(1S)-1-Acetoxyethyl]-4-{(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]vinyl}decahydro-2-naphthalenyl]methyl acetate

  • Molecular FormulaC26H43NO4
  • Average mass433.624 Da
  • Monoisotopic mass433.319214 Da
  • ChemSpider ID23229696

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2S,3R,4R,4aS,8aR)-3-[(1S)-1-(acetyloxy)ethyl]-4-{(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl}decahydronaphthalen-2-yl]methyl acetate
[(2S,3R,4R,4aS,8aR)-3-[(1S)-1-Acetoxyethyl]-4-{(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]vinyl}decahydro-2-naphthalenyl]methyl acetate [ACD/IUPAC Name]
[(2S,3R,4R,4aS,8aR)-3-[(1S)-1-Acetoxyethyl]-4-{(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]vinyl}decahydro-2-naphthalinyl]methyl-acetat [German] [ACD/IUPAC Name]
2,3-Naphthalenedimethanol, 1-[(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-α2-methyl-, diacetate (ester), (α2S,1R,2R,3S,4aR,8aS)- [ACD/Index Name]
Acétate de [(2S,3R,4R,4aS,8aR)-3-[(1S)-1-acétoxyéthyl]-4-{(E)-2-[(2R,6S)-1,6-diméthyl-2-pipéridinyl]vinyl}décahydro-2-naphtalényl]méthyle [French] [ACD/IUPAC Name]
Acetic acid (S)-1-{(1R,2R,3S,4aR,8aS)-3-acetoxymethyl-1-[(E)-2-((2R,6S)-1,6-dimethyl-piperidin-2-yl)-vinyl]-decahydro-naphthalen-2-yl}-ethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.4±24.6 °C
Index of Refraction: 1.533
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 16.53
ACD/KOC (pH 5.5): 34.32
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 47.75
ACD/KOC (pH 7.4): 99.16
Polar Surface Area: 56 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 409.2±3.0 cm3

Click to predict properties on the Chemicalize site


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