ChemSpider 2D Image | Cyclosporin C | C62H111N11O13

Cyclosporin C

  • Molecular FormulaC62H111N11O13
  • Average mass1218.611 Da
  • Monoisotopic mass1217.836304 Da
  • ChemSpider ID23089663

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3R,6S,9R,12S,15R,18S,21R,24S,30S,33R)-30-[(1R)-1-Hydroxyethyl]-33-[(1R,2S,3E)-1-hydroxy-2-methyl-3-penten-1-yl]-3,6,9,18,24-pentaisobutyl-21-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
(3R,6S,9R,12S,15R,18S,21R,24S,30S,33R)-30-[(1R)-1-Hydroxyethyl]-33-[(1R,2S,3E)-1-hydroxy-2-methyl-3-penten-1-yl]-3,6,9,18,24-pentaisobutyl-21-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,1 6,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(3R,6S,9R,12S,15R,18S,21R,24S,30S,33R)-30-[(1R)-1-Hydroxyéthyl]-33-[(1R,2S,3E)-1-hydroxy-2-méthyl-3-pentén-1-yl]-3,6,9,18,24-pentaisobutyl-21-isopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,1 6,19,22,25,28,31-undécaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undécone [French] [ACD/IUPAC Name]
(3R,6S,9R,12S,15R,18S,21R,24S,30S,33R)-30-[(1R)-1-Hydroxyethyl]-33-[(1R,2S,3E)-1-hydroxy-2-methylpent-3-en-1-yl]-3,6,9,18,24-pentaisobutyl-21-isopropyl-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
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-[(1R)-1-hydroxyethyl]-33-[(1R,2S,3E)-1-hydroxy-2-methyl-3-penten-1-yl]-1,4,7,10,12,15,19,25,28-non amethyl-21-(1-methylethyl)-3,6,9,18,24-pentakis(2-methylpropyl)-, (3R,6S,9R,12S,15R,18S,21R,24S,30S,33R)- [ACD/Index Name]
Cyclosporin C
MFCD06410945 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1313.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 222.2±6.0 kJ/mol
Flash Point: 747.9±34.3 °C
Index of Refraction: 1.471
Molar Refractivity: 330.3±0.3 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 81.87
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 81.87
Polar Surface Area: 299 Å2
Polarizability: 131.0±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 1181.5±3.0 cm3

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