ChemSpider 2D Image | 2-({14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H
-pyran-4-aminium | C37H68NO13

2-({14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H -pyran-4-aminium

  • Molecular FormulaC37H68NO13
  • Average mass734.934 Da
  • Monoisotopic mass734.468506 Da
  • ChemSpider ID3900356
  • Charge - Charge


More details:






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

2-({14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H -pyran-4-aminium [ACD/IUPAC Name]
2-({14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H -pyran-4-aminium [German] [ACD/IUPAC Name]
2-({14-Éthyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclotétradécan-6-yl}oxy)-3-hydroxy-N,N,6-triméthyltétrahydro-2H -pyran-4-aminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 818.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 7.51
ACD/KOC (pH 7.4): 90.40
Polar Surface Area: 195 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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