ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9E)-9-octadecenoate | C39H78NO7P

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9E)-9-octadecenoate

  • Molecular FormulaC39H78NO7P
  • Average mass704.013 Da
  • Monoisotopic mass703.551575 Da
  • ChemSpider ID59699599

  • 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

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9E)-9-octadecenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (9E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(hexadecyloxy)-2-(octadec-9-enoyloxy)propoxy]phosphinic acid
PE(P-16:0e/18:1(9Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 395.5±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.75
ACD/LogD (pH 5.5): 10.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 707292.25
ACD/LogD (pH 7.4): 10.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 571146.75
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 714.2±3.0 cm3

Click to predict properties on the Chemicalize site


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