Found 1 result

Search term: 113375429 (Found by CSID)
ChemSpider 2D Image | (15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphahenicosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C37H64NO8P

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC37H64NO8P
  • Average mass681.880 Da
  • Monoisotopic mass681.436951 Da
  • ChemSpider ID113375429

  • 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

(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(15R)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (15R)-21-amino-18-hydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoethanolamine
PE(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(12:0_20:5)
PE(32:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 721.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 390.2±35.7 °C
Index of Refraction: 1.502
Molar Refractivity: 192.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 10.75
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 19394.38
ACD/KOC (pH 5.5): 7939.53
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 15624.09
ACD/KOC (pH 7.4): 6396.08
Polar Surface Area: 144 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 652.8±3.0 cm3

Click to predict properties on the Chemicalize site


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