ChemSpider 2D Image | (2E,5Z,8Z,11Z,15Z,18Z,21Z,24E)-2,25-Diamino-11,16-dibenzyl-1,26-bis(4-hydroxyphenyl)-5,22-dimethyl-4,7,10,13,14,17,20,23-octaazahexacosa-2,5,8,11,15,18,21,24-octaene-3,6,9,12,15,18,21,24-octol | C46H56N10O10

(2E,5Z,8Z,11Z,15Z,18Z,21Z,24E)-2,25-Diamino-11,16-dibenzyl-1,26-bis(4-hydroxyphenyl)-5,22-dimethyl-4,7,10,13,14,17,20,23-octaazahexacosa-2,5,8,11,15,18,21,24-octaene-3,6,9,12,15,18,21,24-octol

  • Molecular FormulaC46H56N10O10
  • Average mass908.998 Da
  • Monoisotopic mass908.418091 Da
  • ChemSpider ID95760564

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5Z,8Z,11Z,15Z,18Z,21Z,24E)-2,25-Diamino-11,16-dibenzyl-1,26-bis(4-hydroxyphenyl)-5,22-dimethyl-4,7,10,13,14,17,20,23-octaazahexacosa-2,5,8,11,15,18,21,24-octaen-3,6,9,12,15,18,21,24-octol [German] [ACD/IUPAC Name]
(2E,5Z,8Z,11Z,15Z,18Z,21Z,24E)-2,25-Diamino-11,16-dibenzyl-1,26-bis(4-hydroxyphenyl)-5,22-dimethyl-4,7,10,13,14,17,20,23-octaazahexacosa-2,5,8,11,15,18,21,24-octaene-3,6,9,12,15,18,21,24-octol [ACD/IUPAC Name]
(2E,5Z,8Z,11Z,15Z,18Z,21Z,24E)-2,25-Diamino-11,16-dibenzyl-1,26-bis(4-hydroxyphényl)-5,22-diméthyl-4,7,10,13,14,17,20,23-octaazahexacosa-2,5,8,11,15,18,21,24-octaène-3,6,9,12,15,18,21,24-octol [French] [ACD/IUPAC Name]
4,7,10,13,14,17,20,23-Octaazahexacosa-2,5,8,11,15,18,21,24-octaene-3,6,9,12,15,18,21,24-octol, 2,25-diamino-1,26-bis(4-hydroxyphenyl)-5,22-dimethyl-11,16-bis(phenylmethyl)-, (2E,5Z,8Z,11Z,15Z,18Z,21Z, 24E)- [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: 1144.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.9±3.0 kJ/mol
Flash Point: 646.0±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 252.1±0.3 cm3
#H bond acceptors: 20
#H bond donors: 22
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 351 Å2
Polarizability: 99.9±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 635.4±3.0 cm3

Click to predict properties on the Chemicalize site


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