ChemSpider 2D Image | N-{11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-20-[(3-quinolinylcarbonyl)amino]-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacont-7-yl}-2-quinoxali necarboxamide | C51H63N11O12S2

N-{11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-20-[(3-quinolinylcarbonyl)amino]-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacont-7-yl}-2-quinoxali necarboxamide

  • Molecular FormulaC51H63N11O12S2
  • Average mass1086.242 Da
  • Monoisotopic mass1085.409912 Da
  • ChemSpider ID78444147

More details:

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

2-Quinoxalinecarboxamide, N-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl)-3,6,10,13,16,19,23,26-octaoxo-20-[(3-quinolinylcarbonyl)amino]-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[1 2.12.4]triacont-7-yl]- [ACD/Index Name]
N-{11,24-Diisopropyl-2,4,12,15,17,25-hexaméthyl-3,6,10,13,16,19,23,26-octaoxo-20-[(3-quinoléinylcarbonyl)amino]-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacont-7-yl}-2-quinoxal inecarboxamide [French] [ACD/IUPAC Name]
N-{11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-20-[(3-quinolinylcarbonyl)amino]-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacont-7-yl}-2-quinoxali necarboxamide [ACD/IUPAC Name]
N-{20-[(3-Chinolinylcarbonyl)amino]-11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacont-7-yl}-2-chinoxali ncarboxamid [German] [ACD/IUPAC Name]
NX-Triostin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1413.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.5±3.0 kJ/mol
Flash Point: 808.6±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 283.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.84
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.66
Polar Surface Area: 340 Å2
Polarizability: 112.6±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 770.9±5.0 cm3

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