Found 1 result

Search term: 78444102 (Found by CSID)
ChemSpider 2D Image | (2E,4E,6E,8E)-N-[6,9-Bis(2-amino-2-oxoethyl)-3-sec-butyl-12-isopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-9-(3-bromo-4-hydroxyphenyl)-2,4,6,8-nonatetraenamide | C38H50BrN7O10

(2E,4E,6E,8E)-N-[6,9-Bis(2-amino-2-oxoethyl)-3-sec-butyl-12-isopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-9-(3-bromo-4-hydroxyphenyl)-2,4,6,8-nonatetraenamide

  • Molecular FormulaC38H50BrN7O10
  • Average mass844.748 Da
  • Monoisotopic mass843.280273 Da
  • ChemSpider ID78444102

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E)-N-[6,9-Bis(2-amino-2-oxoethyl)-3-sec-butyl-12-isopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-9-(3-brom-4-hydroxyphenyl)-2,4,6,8-nonatetraenamid [German] [ACD/IUPAC Name]
(2E,4E,6E,8E)-N-[6,9-Bis(2-amino-2-oxoethyl)-3-sec-butyl-12-isopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-9-(3-bromo-4-hydroxyphenyl)-2,4,6,8-nonatetraenamide [ACD/IUPAC Name]
(2E,4E,6E,8E)-N-[6,9-Bis(2-amino-2-oxoéthyl)-3-sec-butyl-12-isopropyl-16-méthyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tétraazacyclohexadécan-15-yl]-9-(3-bromo-4-hydroxyphényl)-2,4,6,8-nonatétraénamide [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13-tetraazacyclohexadecane-6,9-diacetamide, 15-[[(2E,4E,6E,8E)-9-(3-bromo-4-hydroxyphenyl)-1-oxo-2,4,6,8-nonatetraen-1-yl]amino]-16-methyl-12-(1-methylethyl)-3-(1-methylpropyl)-2,5,8,11,1 4-pentaoxo- [ACD/Index Name]
bromoalterochromide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1271.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 196.8±3.0 kJ/mol
Flash Point: 722.8±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 209.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.26
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.33
Polar Surface Area: 278 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 601.9±5.0 cm3

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