Found 1 result

Search term: 78442684 (Found by CSID)
ChemSpider 2D Image | (3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)-30-Ethyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone | C59H107N11O11

(3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)-30-Ethyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone

  • Molecular FormulaC59H107N11O11
  • Average mass1146.548 Da
  • Monoisotopic mass1145.815186 Da
  • ChemSpider ID78442684

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)-30-Ethyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17, 20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
(3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)-30-Ethyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone [ACD/IUPAC Name]
(3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)-30-Éthyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,16,19,22,25,28,31-undécaazacyclotritriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undécone [French] [ACD/IUPAC Name]
1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-3,21-bis(1-methylethyl)-6,9,18,24,33-pentakis(2-methylpro pyl)-, (3R,6S,9S,12R,15S,18R,21S,24S,30R,33S)- [ACD/Index Name]
CYCLOSPORIN J

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1250.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.3±3.0 kJ/mol
Flash Point: 710.1±34.3 °C
Index of Refraction: 1.460
Molar Refractivity: 313.4±0.3 cm3
#H bond acceptors: 22
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.05
ACD/KOC (pH 5.5): 264.90
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.05
ACD/KOC (pH 7.4): 264.90
Polar Surface Area: 259 Å2
Polarizability: 124.3±0.5 10-24cm3
Surface Tension: 30.2±3.0 dyne/cm
Molar Volume: 1145.0±3.0 cm3

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