ChemSpider 2D Image | (2E,4E,6S,7S,9E,12E,14E,18S)-7-(1-Ethoxyethoxy)-19-[(4-methoxybenzyl)amino]-6,10,12,18-tetramethyl-2,4,9,12,14-nonadecapentaenoic acid | C35H53NO5

(2E,4E,6S,7S,9E,12E,14E,18S)-7-(1-Ethoxyethoxy)-19-[(4-methoxybenzyl)amino]-6,10,12,18-tetramethyl-2,4,9,12,14-nonadecapentaenoic acid

  • Molecular FormulaC35H53NO5
  • Average mass567.799 Da
  • Monoisotopic mass567.392395 Da
  • ChemSpider ID8897053

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2E,4E,6S,7S,9E,12E,14E,18S)-7-(1-Ethoxyethoxy)-19-[(4-methoxybenzyl)amino]-6,10,12,18-tetramethyl-2,4,9,12,14-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,4E,6S,7S,9E,12E,14E,18S)-7-(1-Ethoxyethoxy)-19-[(4-methoxybenzyl)amino]-6,10,12,18-tetramethyl-2,4,9,12,14-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,4,9,12,14-Nonadecapentaenoic acid, 7-(1-ethoxyethoxy)-19-[[(4-methoxyphenyl)methyl]amino]-6,10,12,18-tetramethyl-, (2E,4E,6S,7S,9E,12E,14E,18S)- [ACD/Index Name]
Acide (2E,4E,6S,7S,9E,12E,14E,18S)-7-(1-éthoxyéthoxy)-19-[(4-méthoxybenzyl)amino]-6,10,12,18-tétraméthyl-2,4,9,12,14-nonadécapentaénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 678.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 171.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 1276.24
ACD/KOC (pH 5.5): 1112.39
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 1359.39
ACD/KOC (pH 7.4): 1184.86
Polar Surface Area: 77 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 560.8±3.0 cm3

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