ChemSpider 2D Image | Oxeclosporin | C64H115N11O14

Oxeclosporin

  • Molecular FormulaC64H115N11O14
  • Average mass1262.663 Da
  • Monoisotopic mass1261.862549 Da
  • ChemSpider ID50645229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-12-(2-hydroxyethoxy)-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,24-triisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-18-(3-methylbutyl)- 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]
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-12-(2-hydroxyethoxy)-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,24-triisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-18-(3-methylbutyl)- 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]
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Éthyl-12-(2-hydroxyéthoxy)-33-[(1R,2R,4E)-1-hydroxy-2-méthyl-4-hexén-1-yl]-6,9,24-triisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octaméthyl-18-(3-méthylbutyl)- 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-12-(2-hydroxyethoxy)-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,15,19,25,28-oc tamethyl-18-(3-methylbutyl)-3,21-bis(1-methylethyl)-6,9,24-tris(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,30S)- [ACD/Index Name]
135548-15-1 [RN]
Oxeclosporin [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1336.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 226.8±6.0 kJ/mol
Flash Point: 762.3±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 343.7±0.4 cm3
#H bond acceptors: 25
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.79
ACD/KOC (pH 5.5): 203.40
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.79
ACD/KOC (pH 7.4): 203.39
Polar Surface Area: 308 Å2
Polarizability: 136.3±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 1084.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement