ChemSpider 2D Image | (4E,13E)-9-Amino-9-[({(2E)-3-hydroxy-3-[(2-methyl-2-propanyl)oxy]-2-propen-1-yl}oxy)methyl]-2,2,16,16-tetramethyl-3,7,11,15-tetraoxaheptadeca-4,13-diene-4,14-diol | C25H47NO9

(4E,13E)-9-Amino-9-[({(2E)-3-hydroxy-3-[(2-methyl-2-propanyl)oxy]-2-propen-1-yl}oxy)methyl]-2,2,16,16-tetramethyl-3,7,11,15-tetraoxaheptadeca-4,13-diene-4,14-diol

  • Molecular FormulaC25H47NO9
  • Average mass505.642 Da
  • Monoisotopic mass505.325073 Da
  • ChemSpider ID95755490

More details:

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

(4E,13E)-9-Amino-9-[({(2E)-3-hydroxy-3-[(2-methyl-2-propanyl)oxy]-2-propen-1-yl}oxy)methyl]-2,2,16,16-tetramethyl-3,7,11,15-tetraoxaheptadeca-4,13-dien-4,14-diol [German] [ACD/IUPAC Name]
(4E,13E)-9-Amino-9-[({(2E)-3-hydroxy-3-[(2-methyl-2-propanyl)oxy]-2-propen-1-yl}oxy)methyl]-2,2,16,16-tetramethyl-3,7,11,15-tetraoxaheptadeca-4,13-diene-4,14-diol [ACD/IUPAC Name]
(4E,13E)-9-Amino-9-[({(2E)-3-hydroxy-3-[(2-méthyl-2-propanyl)oxy]-2-propén-1-yl}oxy)méthyl]-2,2,16,16-tétraméthyl-3,7,11,15-tétraoxaheptadéca-4,13-diène-4,14-diol [French] [ACD/IUPAC Name]
3,7,11,15-Tetraoxaheptadeca-4,13-diene-4,14-diol, 9-amino-9-[[[(2E)-3-(1,1-dimethylethoxy)-3-hydroxy-2-propen-1-yl]oxy]methyl]-2,2,16,16-tetramethyl-, (4E,13E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 334.5±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 68.17
ACD/KOC (pH 5.5): 281.35
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1340.55
ACD/KOC (pH 7.4): 5532.43
Polar Surface Area: 142 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 456.0±3.0 cm3

Click to predict properties on the Chemicalize site


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