ChemSpider 2D Image | 3-{[4-Acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[10-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N ,2-trimethyltetrahydro-2H-pyran-4-aminium | C45H72NO17

3-{[4-Acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[10-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N ,2-trimethyltetrahydro-2H-pyran-4-aminium

  • Molecular FormulaC45H72NO17
  • Average mass899.049 Da
  • Monoisotopic mass898.479492 Da
  • ChemSpider ID21234374

  • Charge - Charge

More details:

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

3-{[4-Acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[10-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N ,2-trimethyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
3-{[4-Acetoxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[10-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propionyloxy)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N ,2-trimethyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
3-{[4-Acétoxy-4,6-diméthyl-5-(propionyloxy)tétrahydro-2H-pyran-2-yl]oxy}-6-{[10-acétoxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)-4-(propionyloxy)oxacyclohexadéca-11,13-dién-6-yl]oxy}-5-hydroxy-N,N ,2-triméthyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 878.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.1±6.0 kJ/mol
Flash Point: 485.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 28.04
ACD/KOC (pH 5.5): 117.44
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 956.80
ACD/KOC (pH 7.4): 4007.73
Polar Surface Area: 219 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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