ChemSpider 2D Image | 3-(Dodecyloxy)propyl hydrogen {4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonate | C20H42NO6P

3-(Dodecyloxy)propyl hydrogen {4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonate

  • Molecular FormulaC20H42NO6P
  • Average mass423.524 Da
  • Monoisotopic mass423.274963 Da
  • ChemSpider ID88300781

More details:

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

3-(Dodecyloxy)propyl hydrogen {4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonate [ACD/IUPAC Name]
3-(Dodecyloxy)propyl-hydrogen{4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonat [German] [ACD/IUPAC Name]
Hydrogéno{4-[hydroxy(méthyl)amino]-4-oxobutyl}phosphonate de 3-(dodécyloxy)propyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[4-(hydroxymethylamino)-4-oxobutyl]-, mono[3-(dodecyloxy)propyl] ester [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: 554.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 289.3±32.9 °C
Index of Refraction: 1.479
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 106 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 394.9±3.0 cm3

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