ChemSpider 2D Image | 30-Ethyl-33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-9-(2-methyl-2-propanyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaco ntane-2,5,8,11,14,17,20,23,26,29,32-undecone | C62H111N11O12

30-Ethyl-33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-9-(2-methyl-2-propanyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaco ntane-2,5,8,11,14,17,20,23,26,29,32-undecone

  • Molecular FormulaC62H111N11O12
  • Average mass1202.611 Da
  • Monoisotopic mass1201.841309 Da
  • ChemSpider ID4932054

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 9-(1,1-dimethylethyl)-30-ethyl-33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,12,15,19,25,28-nona methyl-3,21-bis(1-methylethyl)-6,18,24-tris(2-methylpropyl)- [ACD/Index Name]
30-Ethyl-33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-9-(2-methyl-2-propanyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaco ntan-2,5,8,11,14,17,20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
30-Ethyl-33-[(4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-9-(2-methyl-2-propanyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaco ntane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
30-Éthyl-33-[(4E)-1-hydroxy-2-méthyl-4-hexén-1-yl]-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-9-(2-méthyl-2-propanyl)-1,4,7,10,13,16,19,22,25,28,31-undécaazacyclotritriaco ntane-2,5,8,11,14,17,20,23,26,29,32-undécone [French] [ACD/IUPAC Name]
Cyclosporin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1290.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 217.8±6.0 kJ/mol
Flash Point: 734.0±34.3 °C
Index of Refraction: 1.469
Molar Refractivity: 328.5±0.3 cm3
#H bond acceptors: 23
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.08
ACD/KOC (pH 5.5): 242.58
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.08
ACD/KOC (pH 7.4): 242.58
Polar Surface Area: 279 Å2
Polarizability: 130.2±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 1178.9±3.0 cm3

Click to predict properties on the Chemicalize site


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