ChemSpider 2D Image | (6E)-N-{4-[2-(2-{[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}ethoxy)acetoxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid | C27H41NO9

(6E)-N-{4-[2-(2-{[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}ethoxy)acetoxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID57320542

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-N-{4-[2-(2-{[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}ethoxy)acetoxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid [ACD/IUPAC Name]
(6E)-N-{4-[2-(2-{[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}ethoxy)acetoxy]-3-methoxybenzyl}-8-methyl-6-nonenimidsäure [German] [ACD/IUPAC Name]
Acide (6E)-N-{4-[2-(2-{[3-hydroxy-2-(hydroxyméthyl)-2-méthylpropanoyl]oxy}éthoxy)acétoxy]-3-méthoxybenzyl}-8-méthyl-6-nonénimidique [French] [ACD/IUPAC Name]
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-[2-[4-[[[(6E)-1-hydroxy-8-methyl-6-nonen-1-ylidene]amino]methyl]-2-methoxyphenoxy]-2-oxoethoxy]ethyl ester [ACD/Index Name]
3-HYDROXY-2-HYDROXYMETHYL-2-METHYLPROPIONIC ACID-2-(2-METHOXY-4-[(8-METHYL-NON-6-ENOYLAMINO)-METHYL]PHENOXYCARBONYMETHOXY)ETHYL ESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 681.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±34.3 °C
Index of Refraction: 1.512
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 6.19
ACD/KOC (pH 5.5): 58.01
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 6.42
ACD/KOC (pH 7.4): 60.20
Polar Surface Area: 144 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 457.1±7.0 cm3

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