ChemSpider 2D Image | (R,R)-pavine | C20H23NO4

(R,R)-pavine

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID20058144

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(R,R)-pavine
(1R,9R)-4,5,12,13-Tetramethoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen [German] [ACD/IUPAC Name]
(1R,9R)-4,5,12,13-Tetramethoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene [ACD/IUPAC Name]
(1R,9R)-4,5,12,13-Tétraméthoxy-17-azatétracyclo[7.7.1.02,7.010,15]heptadéca-2,4,6,10,12,14-hexaène [French] [ACD/IUPAC Name]
dibenzo[a,e]cycloocten-5,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-, (5R,11R)- [ACD/Index Name]
pavine [Wiki]
rel-(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 195.7±18.2 °C
Index of Refraction: 1.569
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 22.52
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 53.82
ACD/KOC (pH 7.4): 544.44
Polar Surface Area: 49 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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