ChemSpider 2D Image | (2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-5-tetradecenoyloxy]propyl (11Z)-11-octadecenoate | C37H70NO8P

(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-5-tetradecenoyloxy]propyl (11Z)-11-octadecenoate

  • Molecular FormulaC37H70NO8P
  • Average mass687.927 Da
  • Monoisotopic mass687.483887 Da
  • ChemSpider ID35034720
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(11Z)-11-Octadécénoate de (2R)-3-{[(S)-(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-5-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-5-tetradecenoyloxy]propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-5-tetradecenoyloxy]propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2R)-3-[[(S)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(5Z)-1-oxo-5-tetradecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 722.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 390.9±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 192.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.79
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 106826.48
ACD/KOC (pH 5.5): 26927.57
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 86059.67
ACD/KOC (pH 7.4): 21692.92
Polar Surface Area: 144 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 671.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement