Found 1 result

Search term: 2277522 (Found by CSID)
ChemSpider 2D Image | (3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10-dimethyl-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-6,12,18-triisopropyl-4,10-dimethyl-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 ID2277522

  • 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-6,12,18-triisopropyl-4,10-dimethyl-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-6,12,18-triisopropyl-4,10-dimethyl-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-6,12,18-triisopropyl-4,10-diméthyl-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, 4,10-dimethyl-6,12,18-tris(1-methylethyl)-3,9,15-tris(phenylmethyl)-, (3S,6R,9S,12R,15S,18R)- [ACD/Index Name]
Beauvericin D

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

AIDS208084 [DBID]
AIDS-208084 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 992.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 553.7±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 209.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3655.19
ACD/KOC (pH 5.5): 12357.32
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3655.06
ACD/KOC (pH 7.4): 12356.91
Polar Surface Area: 149 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 680.8±3.0 cm3

Click to predict properties on the Chemicalize site


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