ChemSpider 2D Image | (3S,6R,9S,12R,15S,18R)-3,9,15-Triisobutyl-6,12,18-triisopropyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | C33H57N3O9

(3S,6R,9S,12R,15S,18R)-3,9,15-Triisobutyl-6,12,18-triisopropyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

  • Molecular FormulaC33H57N3O9
  • Average mass639.820 Da
  • Monoisotopic mass639.409485 Da
  • ChemSpider ID78442342
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3S,6R,9S,12R,15S,18R)-3,9,15-Triisobutyl-6,12,18-triisopropyl-1,7,13-trioxa-4,10,16-triazacyclooctadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(3S,6R,9S,12R,15S,18R)-3,9,15-Triisobutyl-6,12,18-triisopropyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(3S,6R,9S,12R,15S,18R)-3,9,15-Triisobutyl-6,12,18-triisopropyl-1,7,13-trioxa-4,10,16-triazacyclooctadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 6,12,18-tris(1-methylethyl)-3,9,15-tris(2-methylpropyl)-, (3S,6R,9S,12R,15S,18R)- [ACD/Index Name]
Cordycecin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 894.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 494.8±34.3 °C
Index of Refraction: 1.448
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.18
ACD/KOC (pH 5.5): 622.22
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.17
ACD/KOC (pH 7.4): 622.16
Polar Surface Area: 166 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 628.7±3.0 cm3

Click to predict properties on the Chemicalize site






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