ChemSpider 2D Image | (-)-neothionupharidine | C30H42N2O2S

(-)-neothionupharidine

  • Molecular FormulaC30H42N2O2S
  • Average mass494.732 Da
  • Monoisotopic mass494.296692 Da
  • ChemSpider ID23215070
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(-)-neothionupharidine
(3R,4'R,6S,6''S,9R,9''R,9aS,9a''S)-6,6''-Di(3-furyl)-9,9''-dimethyldodecahydro-2H,2''H-dispiro[quinolizine-3,2'-thiophene-4',3''-quinolizine] [German] [ACD/IUPAC Name]
(3R,4'R,6S,6''S,9R,9''R,9aS,9a''S)-6,6''-Di(3-furyl)-9,9''-dimethyldodecahydro-2H,2''H-dispiro[quinolizine-3,2'-thiophene-4',3''-quinolizine] [ACD/IUPAC Name]
(3R,4'R,6S,6''S,9R,9''R,9aS,9a''S)-6,6''-Di(3-furyl)-9,9''-diméthyldodécahydro-2H,2''H-dispiro[quinolizine-3,2'-thiophene-4',3''-quinolizine] [French] [ACD/IUPAC Name]
(3R,4'R,6S,6''S,9R,9''R,9aS,9a''S)-6,6''-di(furan-3-yl)-9,9''-dimethyldodecahydro-2H,2''H-dispiro[quinolizine-3,2'-thiophene-4',3''-quinolizine]
Dispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine], 6,6''-di-3-furanyldodecahydro-9,9''-dimethyl-, (3R,4'R,6S,6''S,9R,9''R,9aS,9a''S)- [ACD/Index Name]
neothiobinupharidine [Wiki]
6,6''-di(3-furyl)-9,9''-dimethyl-(3'R,4'R,6S,6''S,9R,9''R,9aS,9a''S)-dispiro[perhydroquinolizine-3,2'-thiophene-4',3''-perhydroquinolizine]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 601.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 5.29
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 12.36
ACD/KOC (pH 7.4): 18.32
Polar Surface Area: 58 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 409.4±5.0 cm3

Click to predict properties on the Chemicalize site





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