ChemSpider 2D Image | (3R,4E)-2-Amino-3-hydroxy(1,1-~2~H_2_)-4-octadecen-1-yl dihydrogen phosphate | C18H36D2NO5P

(3R,4E)-2-Amino-3-hydroxy(1,1-2H2)-4-octadecen-1-yl dihydrogen phosphate

  • Molecular FormulaC18H36D2NO5P
  • Average mass381.484 Da
  • Monoisotopic mass381.261322 Da
  • ChemSpider ID82825508

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4E)-2-Amino-3-hydroxy(1,1-2H2)-4-octadecen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(3R,4E)-2-Amino-3-hydroxy(1,1-2H2)-4-octadecen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Octadecene-1,1-d2-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (3R,4E)- [ACD/Index Name]
Dihydrogénophosphate de (3R,4E)-2-amino-3-hydroxy(1,1-2H2)-4-octadécén-1-yle [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: 548.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction: 1.501
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 10.06
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 123 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 346.7±3.0 cm3

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