Found 13 results

Search term: MF = 'C_{44}H_{55}N_{3}O_{9}'
ChemSpider 2D Image | (3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6-ethyl-12,18-diisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | C44H55N3O9

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

  • Molecular FormulaC44H55N3O9
  • Average mass769.922 Da
  • Monoisotopic mass769.393860 Da
  • ChemSpider ID23311604

  • 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-Tribenzyl-6-ethyl-12,18-diisopropyl-4,10,16-trimethyl-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-Tribenzyl-6-ethyl-12,18-diisopropyl-4,10,16-trimethyl-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-Tribenzyl-6-éthyl-12,18-diisopropyl-4,10,16-triméthyl-1,7,13-trioxa-4,10,16-triazacyclooctadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6-ethyl-4,10,16-trimethyl-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 6-ethyl-4,10,16-trimethyl-12,18-bis(1-methylethyl)-3,9,15-tris(phenylmethyl)-, (3S,6R,9S,12R,15S,18R)- [ACD/Index Name]
beauvericin G1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 974.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 543.3±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 210.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7336.67
ACD/KOC (pH 5.5): 20347.69
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7336.67
ACD/KOC (pH 7.4): 20347.69
Polar Surface Area: 140 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 681.3±3.0 cm3

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