ChemSpider 2D Image | 3-{[5-(Butyryloxy)-4,6-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N,2-trime
thyltetrahydro-2H-pyran-4-aminium | C42H70NO15

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

  • Molecular FormulaC42H70NO15
  • Average mass829.002 Da
  • Monoisotopic mass828.473999 Da
  • ChemSpider ID21234408
  • Charge - Charge


More details:






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

3-{[5-(Butyryloxy)-4,6-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N,2-trime thyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
3-{[5-(Butyryloxy)-4,6-dimethyl-4-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-5-hydroxy-N,N,2-trime thyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
3-{[5-(Butyryloxy)-4,6-diméthyl-4-(propionyloxy)tétrahydro-2H-pyran-2-yl]oxy}-6-{[4,10-dihydroxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yl]oxy}-5-hydroxy-N,N,2-trimé thyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 879.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 23.15
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 98.99
ACD/KOC (pH 7.4): 790.12
Polar Surface Area: 207 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement