ChemSpider 2D Image | (12R)-12-Isopropyl-7,26-dimethoxy-16-(3-phenoxypropanoyl)-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 | C36H44N4O8

(12R)-12-Isopropyl-7,26-dimethoxy-16-(3-phenoxypropanoyl)-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 FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID81379229

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12R)-12-Isopropyl-7,26-dimethoxy-16-(3-phenoxypropanoyl)-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-(3-phenoxypropanoyl)-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-(3-phénoxypropanoyl)-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-(1-oxo-3-phenoxypropyl)-, (17R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 970.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.5±3.0 kJ/mol
Flash Point: 540.5±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 178.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.49
ACD/KOC (pH 5.5): 465.80
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.49
ACD/KOC (pH 7.4): 465.80
Polar Surface Area: 145 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 572.6±3.0 cm3

Click to predict properties on the Chemicalize site


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