ChemSpider 2D Image | (1R,3E)-1-[(4S,6S,7R,9aS)-7-(Methoxymethoxy)-6-methyloctahydro-2H-quinolizin-4-yl]-1-(phenylsulfonyl)-3-decen-2-ol | C28H45NO5S

(1R,3E)-1-[(4S,6S,7R,9aS)-7-(Methoxymethoxy)-6-methyloctahydro-2H-quinolizin-4-yl]-1-(phenylsulfonyl)-3-decen-2-ol

  • Molecular FormulaC28H45NO5S
  • Average mass507.726 Da
  • Monoisotopic mass507.301849 Da
  • ChemSpider ID8800803

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,3E)-1-[(4S,6S,7R,9aS)-7-(Methoxymethoxy)-6-methyloctahydro-2H-chinolizin-4-yl]-1-(phenylsulfonyl)-3-decen-2-ol [German] [ACD/IUPAC Name]
(1R,3E)-1-[(4S,6S,7R,9aS)-7-(Methoxymethoxy)-6-methyloctahydro-2H-quinolizin-4-yl]-1-(phenylsulfonyl)-3-decen-2-ol [ACD/IUPAC Name]
(1R,3E)-1-[(4S,6S,7R,9aS)-7-(Méthoxyméthoxy)-6-méthyloctahydro-2H-quinolizin-4-yl]-1-(phénylsulfonyl)-3-décén-2-ol [French] [ACD/IUPAC Name]
2H-Quinolizine-4-ethanol, octahydro-7-(methoxymethoxy)-6-methyl-α-[(1E)-1-octen-1-yl]-β-(phenylsulfonyl)-, (βR,4S,6S,7R,9aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 53.07
ACD/KOC (pH 5.5): 130.74
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 2686.65
ACD/KOC (pH 7.4): 6618.80
Polar Surface Area: 84 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 442.9±5.0 cm3

Click to predict properties on the Chemicalize site


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