ChemSpider 2D Image | 6,10-Diacetyl-15-hydroxy-17-(4-methoxybenzyl)-1,6,10,22-tetraazatricyclo[9.7.6.1~12,16~]pentacosa-12(25),13,15-triene-18,23-dione | C33H44N4O6

6,10-Diacetyl-15-hydroxy-17-(4-methoxybenzyl)-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-triene-18,23-dione

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID502646

More details:

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

1,6,10,22-Tetraazatricyclo[9.7.6.112,16]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
6,10-Diacetyl-15-hydroxy-17-(4-methoxybenzyl)-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-18,23-dion [German] [ACD/IUPAC Name]
6,10-Diacetyl-15-hydroxy-17-(4-methoxybenzyl)-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-triene-18,23-dione [ACD/IUPAC Name]
6,10-Diacétyl-15-hydroxy-17-(4-méthoxybenzyl)-1,6,10,22-tétraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-triène-18,23-dione [French] [ACD/IUPAC Name]
1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-
N(6),N(10)-Diacetyl-O(34)-methyl-16,17-dihydro-16,17-seco-aphelandrine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 461.1±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.84
ACD/KOC (pH 5.5): 451.08
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.55
ACD/KOC (pH 7.4): 447.43
Polar Surface Area: 119 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 470.0±5.0 cm3

Click to predict properties on the Chemicalize site


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