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Search term: 78444099 (Found by CSID)

ChemSpider 2D Image | N,N'-[2,2'',3',11',13',16',24',26'-Octamethyl-27'-(methylsulfanyl)-28'-oxido-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[
12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide) | C53H62N10O15S2

N,N'-[2,2'',3',11',13',16',24',26'-Octamethyl-27'-(methylsulfanyl)-28'-oxido-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[ 12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide)

  • Molecular FormulaC53H62N10O15S2
  • Average mass1143.247 Da
  • Monoisotopic mass1142.383789 Da
  • ChemSpider ID78444099

More details:






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

2-Quinolinecarboxamide, N,N'-[2,2',2'',4',12',15',17',25'-octamethyl-27'-(methylthio)-28'-oxido-3',6',10',13',16',19',23',26'-octaoxodispiro[cyclopropane-1,11'-[9,22]dioxa[28]thia[2,5,12,15,18,25]hexa azabicyclo[12.12.3]nonacosane-24',1''-cyclopropane]-7',20'-diyl]bis[3-hydroxy- [ACD/Index Name]
N,N'-[2,2'',3',11',13',16',24',26'-Octamethyl-27'-(methylsulfanyl)-28'-oxido-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[ 12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide) [ACD/IUPAC Name]
RK-1355A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 290.6±0.4 cm3
#H bond acceptors: 25
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.61
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 378 Å2
Polarizability: 115.2±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 745.8±5.0 cm3

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