ChemSpider 2D Image | (1S,4S,5S,10R,11R,12R)-4,10-Diisopropenyl-7-methyl-16-oxo-17,18-dioxa-14,15-diazatetracyclo[9.4.2.1~6,9~.0~1,12~]octadeca-6,8,14-trien-5-yl acetate | C23H28N2O5

(1S,4S,5S,10R,11R,12R)-4,10-Diisopropenyl-7-methyl-16-oxo-17,18-dioxa-14,15-diazatetracyclo[9.4.2.16,9.01,12]octadeca-6,8,14-trien-5-yl acetate

  • Molecular FormulaC23H28N2O5
  • Average mass412.479 Da
  • Monoisotopic mass412.199829 Da
  • ChemSpider ID30657368

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4S,5S,10R,11R,12R)-4,10-Diisopropenyl-7-methyl-16-oxo-17,18-dioxa-14,15-diazatetracyclo[9.4.2.16,9.01,12]octadeca-6,8,14-trien-5-yl acetate [ACD/IUPAC Name]
(1S,4S,5S,10R,11R,12R)-4,10-Diisopropenyl-7-methyl-16-oxo-17,18-dioxa-14,15-diazatetracyclo[9.4.2.16,9.01,12]octadeca-6,8,14-trien-5-yl-acetat [German] [ACD/IUPAC Name]
6,9-Epoxy-4,13a-(epoxymethano)-13aH-cyclododeca[c]pyrazol-14-one, 10-(acetyloxy)-3,3a,4,5,10,11,12,13-octahydro-8-methyl-5,11-bis(1-methylethenyl)-, (3aR,4R,5R,10S,11S,13aS)- [ACD/Index Name]
Acétate de (1S,4S,5S,10R,11R,12R)-4,10-diisopropényl-7-méthyl-16-oxo-17,18-dioxa-14,15-diazatétracyclo[9.4.2.16,9.01,12]octadéca-6,8,14-trién-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1731.33
ACD/KOC (pH 5.5): 7238.18
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1731.33
ACD/KOC (pH 7.4): 7238.18
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 312.2±7.0 cm3

Click to predict properties on the Chemicalize site


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