Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | 17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.0~2,6~]nonadeca[1(17),9,15,18]tetraen]-2-one | C39H45NO6

17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.02,6]nonadeca[1(17),9,15,18]tetraen]-2-one

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID4268344

More details:

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

17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.02,6]nonadeca[1(17),9,15,18]tetraen]-2-one [ACD/IUPAC 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: 821.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 450.7±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 199399.30
ACD/KOC (pH 5.5): 216330.53
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199399.30
ACD/KOC (pH 7.4): 216330.53
Polar Surface Area: 85 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 501.4±5.0 cm3

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