ChemSpider 2D Image | N,N'-[11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl]di(3-quinolinecarbox amide) | C53H66N10O12S2

N,N'-[11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl]di(3-quinolinecarbox amide)

  • Molecular FormulaC53H66N10O12S2
  • Average mass1099.281 Da
  • Monoisotopic mass1098.430298 Da
  • ChemSpider ID78444025

More details:

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

3-Quinolinecarboxamide, N,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,2 0-diyl]bis- [ACD/Index Name]
N,N'-[11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan-7,20-diyl]di(3-chinolincarboxam id) [German] [ACD/IUPAC Name]
N,N'-[11,24-Diisopropyl-2,4,12,15,17,25-hexaméthyl-27-(méthylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl]di(3-quinoléinecarbo xamide) [French] [ACD/IUPAC Name]
N,N'-[11,24-Diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl]di(3-quinolinecarbox amide) [ACD/IUPAC Name]
QN-Quinomycin 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: 1419.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 217.7±3.0 kJ/mol
Flash Point: 812.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 290.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.46
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.87
Polar Surface Area: 327 Å2
Polarizability: 115.3±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 794.6±5.0 cm3

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