ChemSpider 2D Image | 3-(5-Methoxy-2,2,8,8-tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-10-yl)propyl 3,5-dinitrobenzoate | C27H32N2O9

3-(5-Methoxy-2,2,8,8-tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-10-yl)propyl 3,5-dinitrobenzoate

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID551777

More details:

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

2H,6H-Benzo[1,2-b:5,4-b']dipyran-10-propanol, 3,4,7,8-tetrahydro-5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate [ACD/Index Name]
3-(5-Methoxy-2,2,8,8-tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-10-yl)propyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
3-(5-Methoxy-2,2,8,8-tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-10-yl)propyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 3-(5-méthoxy-2,2,8,8-tétraméthyl-3,4,7,8-tétrahydro-2H,6H-pyrano[3,2-g]chromén-10-yl)propyle [French] [ACD/IUPAC Name]
Tetrahydroeriostanyl-3,5-dinitrobenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 243.7±33.5 °C
Index of Refraction: 1.568
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44089.12
ACD/KOC (pH 5.5): 73450.53
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44089.12
ACD/KOC (pH 7.4): 73450.53
Polar Surface Area: 146 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 421.3±3.0 cm3

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