ChemSpider 2D Image | (1S,9S,1'R,9'R)-11,11'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyldicarbonyl)bis(7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one) | C44H48N4O10

(1S,9S,1'R,9'R)-11,11'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyldicarbonyl)bis(7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one)

  • Molecular FormulaC44H48N4O10
  • Average mass792.873 Da
  • Monoisotopic mass792.337036 Da
  • ChemSpider ID17463165

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,9S,1'R,9'R)-11,11'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyldicarbonyl)bis(7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on) [German] [ACD/IUPAC Name]
(1S,9S,1'R,9'R)-11,11'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyldicarbonyl)bis(7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one) [ACD/IUPAC Name]
(1S,9S,1'R,9'R)-11,11'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine-2,13-diyldicarbonyl)bis(7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one) [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3,3'-[(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)dicarbonyl]bis[1,2,3,4,5,6-hexahydro-, (1S,5S,1'R,5'R) - [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 210.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.16
ACD/KOC (pH 5.5): 112.67
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 112.67
Polar Surface Area: 137 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 556.9±5.0 cm3

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