ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-9-nonadecenoate | C40H80NO7P

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

  • Molecular FormulaC40H80NO7P
  • Average mass718.039 Da
  • Monoisotopic mass717.567261 Da
  • ChemSpider ID113375910

  • 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 (9Z)-9-nonadecenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(9Z)-9-nonadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Nonadécénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
9-Nonadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-hexadecyl-2-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine
PE(O-16:0/19:1(9Z))
PE(O-16:0/19:1)
PE(O-35:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 739.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 401.1±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.28
ACD/LogD (pH 5.5): 11.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2159363.75
ACD/LogD (pH 7.4): 11.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1743711.50
Polar Surface Area: 127 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 730.7±3.0 cm3

Click to predict properties on the Chemicalize site


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