Found 1 result

Search term: 74876786 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C41H65O8P

(2R)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC41H65O8P
  • Average mass716.924 Da
  • Monoisotopic mass716.441711 Da
  • ChemSpider ID74876786

  • 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

(2R)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(phosphonooxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(phosphonooxy)-2-propanyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxyphosphonic acid
[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphonic acid
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphate
PA(18:4_20:4)
PA(38:8)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 759.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 412.9±35.7 °C
Index of Refraction: 1.516
Molar Refractivity: 207.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 12.26
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 3554.75
ACD/KOC (pH 5.5): 1336.96
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 418.30
ACD/KOC (pH 7.4): 157.32
Polar Surface Area: 129 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 687.1±3.0 cm3

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