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Search term: KLULNXUHMWEEKT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Amino-1-hydroxy-4-(4-octylphenyl)-2-butanyl dihydrogen phosphate | C18H32NO5P

2-Amino-1-hydroxy-4-(4-octylphenyl)-2-butanyl dihydrogen phosphate

  • Molecular FormulaC18H32NO5P
  • Average mass373.424 Da
  • Monoisotopic mass373.201813 Da
  • ChemSpider ID23200150

More details:

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

1,2-Butanediol, 2-amino-4-(4-octylphenyl)-, 2-(dihydrogen phosphate) [ACD/Index Name]
2-Amino-1-hydroxy-4-(4-octylphenyl)-2-butanyl dihydrogen phosphate [ACD/IUPAC Name]
2-Amino-1-hydroxy-4-(4-octylphenyl)-2-butanyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-amino-1-hydroxy-4-(4-octylphenyl)butan-2-yl dihydrogen phosphate
Dihydrogénophosphate de 2-amino-1-hydroxy-4-(4-octylphényl)-2-butanyle [French] [ACD/IUPAC Name]
CHEMBL117130
Phosphoric acid mono-[1-amino-1-hydroxymethyl-3-(4-octyl-phenyl)-propyl] ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.8±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

Click to predict properties on the Chemicalize site


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