ChemSpider 2D Image | (12R)-12-Isopropyl-7,26-dimethoxy-16-(4-methylpentyl)-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 | C33H48N4O6

(12R)-12-Isopropyl-7,26-dimethoxy-16-(4-methylpentyl)-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 FormulaC33H48N4O6
  • Average mass596.757 Da
  • Monoisotopic mass596.357361 Da
  • ChemSpider ID81385181

  • 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-(4-methylpentyl)-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-(4-methylpentyl)-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-(4-méthylpentyl)-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-(4-methylpentyl)-, (17R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 847.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.5±34.3 °C
Index of Refraction: 1.504
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 15.58
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 41.59
ACD/KOC (pH 7.4): 441.75
Polar Surface Area: 118 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 560.5±3.0 cm3

Click to predict properties on the Chemicalize site


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