ChemSpider 2D Image | (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-Diethyl-33-[(1R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-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 | C63H113N11O12

(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-Diethyl-33-[(1R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-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

  • Molecular FormulaC63H113N11O12
  • Average mass1216.638 Da
  • Monoisotopic mass1215.857018 Da
  • ChemSpider ID9761000

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 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,27R,30S,33S)-25,30-Diethyl-33-[(1R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-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,27R,30S,33S)-25,30-Diethyl-33-[(1R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-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 [ACD/IUPAC Name]
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-Diéthyl-33-[(1R,4E)-1-hydroxy-2-méthyl-4-hexén-1-yl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonaméthyl-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,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-1,4,7,10,12,15,19,27,28-nonamethyl-3,21,24 -tris(1-methylethyl)-6,9,18-tris(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)- [ACD/Index Name]

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

Density: 1.0±0.0 g/cm3
Boiling Point: 1294.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 218.6±0.0 kJ/mol
Flash Point: 736.5±0.0 °C
Index of Refraction: 1.466
Molar Refractivity: 333.5±0.0 cm3
#H bond acceptors: 23
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 233 Å2
Polarizability: 132.2±0.0 10-24cm3
Surface Tension: 31.3±0.0 dyne/cm
Molar Volume: 1202.3±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement