ChemSpider 2D Image | 3-{[15-(12-{[Ammonio(methylamino)methylene]amino}-4-methyl-8-dodecen-2-yl)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12 ,20-trien-3-yl]oxy}-3-oxopropanoate | C59H103N3O18

3-{[15-(12-{[Ammonio(methylamino)methylene]amino}-4-methyl-8-dodecen-2-yl)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12 ,20-trien-3-yl]oxy}-3-oxopropanoate

  • Molecular FormulaC59H103N3O18
  • Average mass1142.458 Da
  • Monoisotopic mass1141.723633 Da
  • ChemSpider ID21235619

More details:

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

3-{[15-(12-{[Ammonio(methylamino)methylen]amino}-4-methyl-8-dodecen-2-yl)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12, 20-trien-3-yl]oxy}-3-oxopropanoat [German] [ACD/IUPAC Name]
3-{[15-(12-{[Ammonio(methylamino)methylene]amino}-4-methyl-8-dodecen-2-yl)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12 ,20-trien-3-yl]oxy}-3-oxopropanoate [ACD/IUPAC Name]
3-{[15-(12-{[Ammonio(méthylamino)méthylène]amino}-4-méthyl-8-dodécén-2-yl)-5,7,9,19,23,25,27,31,33,34,35-undécahydroxy-8,14,18,22,26,30-hexaméthyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12 ,20-trién-3-yl]oxy}-3-oxopropanoate [French] [ACD/IUPAC Name]
Propanedioic acid, mono[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecen-1-yl]-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]h eptatriaconta-10,12,20-trien-3-yl] ester [ACD/Index Name]

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

Density:
Boiling Point: 1165.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 194.5±6.0 kJ/mol
Flash Point: 658.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 15
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 374 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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