ChemSpider 2D Image | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(1R,2R,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-und ecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | C63H113N11O12

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

  • Molecular FormulaC63H113N11O12
  • Average mass1216.638 Da
  • Monoisotopic mass1215.857056 Da
  • ChemSpider ID29767252

  • 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,33S)-33-[(1R,2R,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-und ecaazacyclotritriacontan-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,33S)-33-[(1R,2R,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-und ecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(1R,2R,4E)-1-Hydroxy-2-méthyl-4-hexén-1-yl]-6,9,18,24-tétraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,16,19,22,25,28,31-und écaazacyclotritriacontane-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-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-3,21,30-tris(1-met hylethyl)-6,9,18,24-tetrakis(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)- [ACD/Index Name]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 1294.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 218.7±6.0 kJ/mol
    Flash Point: 736.8±34.3 °C
    Index of Refraction: 1.468
    Molar Refractivity: 333.4±0.3 cm3
    #H bond acceptors: 23
    #H bond donors: 5
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 3.70
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.33
    ACD/KOC (pH 5.5): 341.58
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.33
    ACD/KOC (pH 7.4): 341.58
    Polar Surface Area: 279 Å2
    Polarizability: 132.2±0.5 10-24cm3
    Surface Tension: 31.8±3.0 dyne/cm
    Molar Volume: 1198.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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