ChemSpider 2D Image | 2-{[(10E)-14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-6-yl]oxy}- 3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium | C41H77N2O15

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

  • Molecular FormulaC41H77N2O15
  • Average mass838.054 Da
  • Monoisotopic mass837.531860 Da
  • ChemSpider ID21432650

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-{[(10E)-14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-6-yl]oxy}- 3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
2-{[(10E)-14-Ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-6-yl]oxy}- 3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
2-{[(10E)-14-Éthyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-10-{[(2-méthoxyéthoxy)méthoxy]imino}-3,5,7,9,11,13-hexaméthyl-2-oxooxacyclotétradécan-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, version: 14.00

Density:
Boiling Point: 864.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.8±6.0 kJ/mol
Flash Point: 476.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 7.17
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 52.67
ACD/KOC (pH 7.4): 364.76
Polar Surface Area: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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