ChemSpider 2D Image | (3S,6R,9R,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis[4-(4-morpholinyl)benzyl]-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone | C60H90N6O14

(3S,6R,9R,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis[4-(4-morpholinyl)benzyl]-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone

  • Molecular FormulaC60H90N6O14
  • Average mass1119.388 Da
  • Monoisotopic mass1118.651489 Da
  • ChemSpider ID68025712

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6R,9R,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis[4-(4-morpholinyl)benzyl]-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octon [German] [ACD/IUPAC Name]
(3S,6R,9R,12R,15S,18R,21S,24R)-3,9,15,21-Tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis[4-(4-morpholinyl)benzyl]-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone [ACD/IUPAC Name]
(3S,6R,9R,12R,15S,18R,21S,24R)-3,9,15,21-Tétraisobutyl-4,6,10,16,18,22-hexaméthyl-12,24-bis[4-(4-morpholinyl)benzyl]-1,7,13,19-tétraoxa-4,10,16,22-tétraazacyclotétracosane-2,5,8,11,14,17,20,23-octone [French] [ACD/IUPAC Name]
1,7,13,19-Tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone, 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-(4-morpholinyl)phenyl]methyl]-, (3S,6R,9R ,12R,15S,18R,21S,24R)- [ACD/Index Name]
155030-63-0 [RN]
Cyclo(αR)-α-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl-(αR)-α-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl
emodepside [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1219.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.0±3.0 kJ/mol
Flash Point: 691.2±34.3 °C
Index of Refraction: 1.504
Molar Refractivity: 299.9±0.3 cm3
#H bond acceptors: 20
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2623.46
ACD/KOC (pH 5.5): 8281.19
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4614.53
ACD/KOC (pH 7.4): 14566.17
Polar Surface Area: 211 Å2
Polarizability: 118.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 1013.2±3.0 cm3

Click to predict properties on the Chemicalize site


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