ChemSpider 2D Image | 5,10,15,20,25,30,35-Heptakis(aminomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43 ,44,45,46,47,48,49-tetradecol | C42H77N7O28

5,10,15,20,25,30,35-Heptakis(aminomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43 ,44,45,46,47,48,49-tetradecol

  • Molecular FormulaC42H77N7O28
  • Average mass1128.091 Da
  • Monoisotopic mass1127.481689 Da
  • ChemSpider ID21429449

More details:

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

5,10,15,20,25,30,35-Heptakis(aminomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36,37,38,39,40,41,42,43, 44,45,46,47,48,49-tetradecol [German] [ACD/IUPAC Name]
5,10,15,20,25,30,35-Heptakis(aminomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43 ,44,45,46,47,48,49-tetradecol [ACD/IUPAC Name]
5,10,15,20,25,30,35-Heptakis(aminométhyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tétradécaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatétracontane-36,37,38,39,40,41,42,43 ,44,45,46,47,48,49-tétradécol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1453.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 250.0±6.0 kJ/mol
Flash Point: 833.1±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 250.1±0.3 cm3
#H bond acceptors: 35
#H bond donors: 28
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -7.73
ACD/LogD (pH 5.5): -18.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -18.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 595 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 742.0±3.0 cm3

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