ChemSpider 2D Image | (6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-Dihydroxy-2-methyl-4-hexen-1-yl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaaza cyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | C62H111N11O13

(6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-Dihydroxy-2-methyl-4-hexen-1-yl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaaza cyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

  • Molecular FormulaC62H111N11O13
  • Average mass1218.611 Da
  • Monoisotopic mass1217.836304 Da
  • ChemSpider ID31045840

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-Dihydroxy-2-methyl-4-hexen-1-yl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaaza cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
(6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-Dihydroxy-2-methyl-4-hexen-1-yl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaaza cyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-Dihydroxy-2-méthyl-4-hexén-1-yl]-30-éthyl-6,9,18,24-tétraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,16,19,22,25,28,31-undécaaza cyclotritriacontane-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, 33-[(1R,2R,4E)-1,6-dihydroxy-2-methyl-4-hexen-1-yl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-3,21- bis(1-methylethyl)-6,9,18,24-tetrakis(2-methylpropyl)-, (6S,9S,12R,15S,18S,30S)- [ACD/Index Name]
(6S,9S,12R,15S,18S,30S)-33-[(1R,2R,4E)-1,6-DIHYDROXY-2-METHYLHEX-4-EN-1-YL]-30-ETHYL-3,21-DIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE
89270-28-0 [RN]
Cyclosporin AM 1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1325.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 224.6±6.0 kJ/mol
Flash Point: 755.3±34.3 °C
Index of Refraction: 1.471
Molar Refractivity: 330.4±0.3 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 57.01
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 57.01
Polar Surface Area: 299 Å2
Polarizability: 131.0±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 1181.1±3.0 cm3

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