ChemSpider 2D Image | N,N'-[(7'R,8'R,20'R,21'R)-2,2'',3',7',11',13',16',20',24',26'-Decamethyl-27'-(methylsulfinyl)-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cycloprop ane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide) | C55H66N10O15S2

N,N'-[(7'R,8'R,20'R,21'R)-2,2'',3',7',11',13',16',20',24',26'-Decamethyl-27'-(methylsulfinyl)-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cycloprop ane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide)

  • Molecular FormulaC55H66N10O15S2
  • Average mass1171.301 Da
  • Monoisotopic mass1170.415039 Da
  • ChemSpider ID40256793

  • defined stereocentres - 4 of 14 defined stereocentres

More details:

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

2-Quinolinecarboxamide, N,N'-[(7'R,8'R,20'R,21'R)-2,2',2'',4',8',12',15',17',21',25'-decamethyl-27'-(methylsulfinyl)-3',6',10',13',16',19',23',26'-octaoxodispiro[cyclopropane-1,11'-[9,22]dioxa[28]thia [2,5,12,15,18,25]hexaazabicyclo[12.12.3]nonacosane-24',1''-cyclopropane]-7',20'-diyl]bis[3-hydroxy- [ACD/Index Name]
N,N'-[(7'R,8'R,20'R,21'R)-2,2'',3',7',11',13',16',20',24',26'-Decamethyl-27'-(methylsulfinyl)-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cycloprop ane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxy-2-quinolinecarboxamide) [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 299.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.69
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.92
Polar Surface Area: 378 Å2
Polarizability: 118.9±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 778.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement