ChemSpider 2D Image | 5-(Hydroxymethyl)-3-{1-[(4-methoxybenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione | C29H45NO5

5-(Hydroxymethyl)-3-{1-[(4-methoxybenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione

  • Molecular FormulaC29H45NO5
  • Average mass487.671 Da
  • Monoisotopic mass487.329773 Da
  • ChemSpider ID28521653

More details:






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

2,4(3H,5H)-Furandione, 5-(hydroxymethyl)-3-[1-[[(4-methoxyphenyl)methyl]amino]hexadecylidene]- [ACD/Index Name]
5-(Hydroxymethyl)-3-{1-[(4-methoxybenzyl)amino]hexadecyliden}-2,4(3H,5H)-furandion [German] [ACD/IUPAC Name]
5-(Hydroxymethyl)-3-{1-[(4-methoxybenzyl)amino]hexadecylidene}-2,4(3H,5H)-furandione [ACD/IUPAC Name]
5-(Hydroxyméthyl)-3-{1-[(4-méthoxybenzyl)amino]hexadécylidène}-2,4(3H,5H)-furanedione [French] [ACD/IUPAC 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: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 386254.47
ACD/KOC (pH 5.5): 347198.53
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 386497.56
ACD/KOC (pH 7.4): 347417.03
Polar Surface Area: 85 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 457.8±3.0 cm3

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