ChemSpider 2D Image | 2-({14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrah ydro-2H-pyran-4-aminium | C38H70NO13

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

  • Molecular FormulaC38H70NO13
  • Average mass748.961 Da
  • Monoisotopic mass748.484192 Da
  • ChemSpider ID19073988

  • Charge - Charge

More details:

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

2-({14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrah ydro-2H-pyran-4-aminium [ACD/IUPAC Name]
2-({14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-3-hydroxy-N,N,6-trimethyltetrah ydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
2-({14-Éthyl-12,13-dihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-7-méthoxy-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclotétradécan-6-yl}oxy)-3-hydroxy-N,N,6-triméthyltétrah ydro-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: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.20
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 24.95
ACD/KOC (pH 7.4): 213.55
Polar Surface Area: 184 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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