ChemSpider 2D Image | (1R,5R,8R,12S,18R)-5,7,8-Trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1~5,8~.0~15,18~]nonadecane-3,9-dione | C18H27NO5

(1R,5R,8R,12S,18R)-5,7,8-Trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione

  • Molecular FormulaC18H27NO5
  • Average mass337.411 Da
  • Monoisotopic mass337.188934 Da
  • ChemSpider ID35518553

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,5R,8R,12S,18R)-5,7,8-Trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecan-3,9-dion [German] [ACD/IUPAC Name]
(1R,5R,8R,12S,18R)-5,7,8-Trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione [ACD/IUPAC Name]
(1R,5R,8R,12S,18R)-5,7,8-Triméthyl-2,10,19-trioxa-15-azatétracyclo[10.5.1.15,8.015,18]nonadécane-3,9-dione [French] [ACD/IUPAC Name]
4,7-Epoxy-2H-[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione, dodecahydro-4,6,7-trimethyl-, (4R,7R,10aS,15aR,15bR)- [ACD/Index Name]
C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1α,12R,15R)-
Nemorensine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 65 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 271.8±5.0 cm3

Click to predict properties on the Chemicalize site


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