ChemSpider 2D Image | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-2-Butanyl]-25,30-diethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13 ,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | C63H113N11O12

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-2-Butanyl]-25,30-diethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-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 FormulaC63H113N11O12
  • Average mass1216.638 Da
  • Monoisotopic mass1215.857056 Da
  • ChemSpider ID4977582

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 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)-24-[(2S)-2-Butanyl]-25,30-diethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-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,33S)-24-[(2S)-2-Butanyl]-25,30-diethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-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,33S)-24-[(2S)-2-Butanyl]-25,30-diéthyl-33-[(1R,2R,4E)-1-hydroxy-2-méthyl-4-hexén-1-yl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octaméthyl-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, 25,30-diethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,12,15,19,28-octamethyl-3,21-bi s(1-methylethyl)-24-[(1S)-1-methylpropyl]-6,9,18-tris(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)- [ACD/Index Name]
Cyclo(((E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N--ethyl-L--isoleucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)

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

AIDS107159 [DBID]
AIDS-107159 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1297.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 219.3±6.0 kJ/mol
Flash Point: 738.7±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: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.31
ACD/KOC (pH 5.5): 341.43
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.31
ACD/KOC (pH 7.4): 341.43
Polar Surface Area: 279 Å2
Polarizability: 132.2±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 1198.9±3.0 cm3

Click to predict properties on the Chemicalize site


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