ChemSpider 2D Image | 2-[7-Chloro-5-(2,3-dimethoxyphenyl)-2-hydroxy-1-(3-hydroxy-2,2-dimethylpropyl)-1,5-dihydro-4,1-benzoxazepin-3-yl]-1-[4-(2,2-dihydroxyvinyl)-1-piperidinyl]ethanone | C31H39ClN2O8

2-[7-Chloro-5-(2,3-dimethoxyphenyl)-2-hydroxy-1-(3-hydroxy-2,2-dimethylpropyl)-1,5-dihydro-4,1-benzoxazepin-3-yl]-1-[4-(2,2-dihydroxyvinyl)-1-piperidinyl]ethanone

  • Molecular FormulaC31H39ClN2O8
  • Average mass603.103 Da
  • Monoisotopic mass602.239502 Da
  • ChemSpider ID95729196

More details:

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

2-[7-Chlor-5-(2,3-dimethoxyphenyl)-2-hydroxy-1-(3-hydroxy-2,2-dimethylpropyl)-1,5-dihydro-4,1-benzoxazepin-3-yl]-1-[4-(2,2-dihydroxyvinyl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
2-[7-Chloro-5-(2,3-dimethoxyphenyl)-2-hydroxy-1-(3-hydroxy-2,2-dimethylpropyl)-1,5-dihydro-4,1-benzoxazepin-3-yl]-1-[4-(2,2-dihydroxyvinyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-[7-Chloro-5-(2,3-diméthoxyphényl)-2-hydroxy-1-(3-hydroxy-2,2-diméthylpropyl)-1,5-dihydro-4,1-benzoxazépin-3-yl]-1-[4-(2,2-dihydroxyvinyl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[7-chloro-5-(2,3-dimethoxyphenyl)-1,5-dihydro-2-hydroxy-1-(3-hydroxy-2,2-dimethylpropyl)-4,1-benzoxazepin-3-yl]-1-[4-(2,2-dihydroxyethenyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.21
ACD/KOC (pH 5.5): 981.57
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.85
ACD/KOC (pH 7.4): 978.30
Polar Surface Area: 132 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 450.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement