ChemSpider 2D Image | 19-Benzyl-6,13,16-triisopropyl-2,3,10,10,15-pentamethyl-9-(4-penten-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone | C44H67N5O9

19-Benzyl-6,13,16-triisopropyl-2,3,10,10,15-pentamethyl-9-(4-penten-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone

  • Molecular FormulaC44H67N5O9
  • Average mass810.031 Da
  • Monoisotopic mass809.493896 Da
  • ChemSpider ID29215093

More details:

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

19-Benzyl-6,13,16-triisopropyl-2,3,10,10,15-pentamethyl-9-(4-penten-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosin-1,4,7,11,14,17,20(10H,19H)-hepton [German] [ACD/IUPAC Name]
19-Benzyl-6,13,16-triisopropyl-2,3,10,10,15-pentamethyl-9-(4-penten-1-yl)dodecahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone [ACD/IUPAC Name]
19-Benzyl-6,13,16-triisopropyl-2,3,10,10,15-pentaméthyl-9-(4-pentén-1-yl)dodécahydro-1H,9H-pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone [French] [ACD/IUPAC Name]
1H,9H-Pyrrolo[2,1-i][1,13,4,7,10,16,19]dioxapentaazacyclodocosine-1,4,7,11,14,17,20(10H,19H)-heptone, dodecahydro-2,3,10,10,15-pentamethyl-6,13,16-tris(1-methylethyl)-9-(4-penten-1-yl)-19-(phenylmethy l)- [ACD/Index Name]
viequeamide C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1009.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 564.2±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 221.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.46
ACD/KOC (pH 5.5): 1740.78
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.46
ACD/KOC (pH 7.4): 1740.78
Polar Surface Area: 172 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 692.4±5.0 cm3

Click to predict properties on the Chemicalize site


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