ChemSpider 2D Image | (12R)-12-Isopropyl-7,26-dimethoxy-16-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]-2-oxa-10,13,16,21-tetraazatricyclo[21.3.1.0~3,8~]heptacosa-1(27),3,5,7,23,25-hexaene-11,14,22-trione | C37H51N5O7

(12R)-12-Isopropyl-7,26-dimethoxy-16-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]-2-oxa-10,13,16,21-tetraazatricyclo[21.3.1.03,8]heptacosa-1(27),3,5,7,23,25-hexaene-11,14,22-trione

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID81380195

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(12R)-12-Isopropyl-7,26-dimethoxy-16-[(1R,9aR)-octahydro-2H-chinolizin-1-ylcarbonyl]-2-oxa-10,13,16,21-tetraazatricyclo[21.3.1.03,8]heptacosa-1(27),3,5,7,23,25-hexaen-11,14,22-trion [German] [ACD/IUPAC Name]
(12R)-12-Isopropyl-7,26-dimethoxy-16-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]-2-oxa-10,13,16,21-tetraazatricyclo[21.3.1.03,8]heptacosa-1(27),3,5,7,23,25-hexaene-11,14,22-trione [ACD/IUPAC Name]
(12R)-12-Isopropyl-7,26-diméthoxy-16-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]-2-oxa-10,13,16,21-tétraazatricyclo[21.3.1.03,8]heptacosa-1(27),3,5,7,23,25-hexaène-11,14,22-trione [French] [ACD/IUPAC Name]
6,2-Metheno-2H-1,8,13,16,19-benzoxatetraazacyclodocosine-7,15,18(8H)-trione, 9,10,11,12,13,14,16,17,19,20-decahydro-3,21-dimethoxy-17-(1-methylethyl)-13-[[(1R,9aR)-octahydro-2H-quinolizin-1-yl]carbony l]-, (17R)- [ACD/Index 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: 965.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 537.4±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 185.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.20
Polar Surface Area: 139 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 539.3±5.0 cm3

Click to predict properties on the Chemicalize site


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