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Search term: 74876827 (Found by CSID)
ChemSpider 2D Image | (2R)-1-(Icosanoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C45H81O8P

(2R)-1-(Icosanoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC45H81O8P
  • Average mass781.094 Da
  • Monoisotopic mass780.566895 Da
  • ChemSpider ID74876827

  • 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-(Icosanoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-1-(Icosanoyloxy)-3-(phosphonooxy)-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-1-(icosanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[(1-oxoeicosyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(icosanoyloxy)propoxyphosphonic acid
[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(icosanoyloxy)propoxy]phosphonic acid
1-eicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate
PA(20:0/22:4(7Z,10Z,13Z,16Z))
PA(20:0_22:4)
PA(42:4)

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: 795.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.8±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 226.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 16.59
ACD/LogD (pH 5.5): 10.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 470167.56
ACD/LogD (pH 7.4): 9.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 55320.68
Polar Surface Area: 129 Å2
Polarizability: 89.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 778.7±3.0 cm3

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