Found 1 result

Search term: 113379216 (Found by CSID)
ChemSpider 2D Image | (2R)-1-(Henicosanoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C46H83O8P

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

  • Molecular FormulaC46H83O8P
  • Average mass795.120 Da
  • Monoisotopic mass794.582581 Da
  • ChemSpider ID113379216

  • 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-(Henicosanoyloxy)-3-(phosphonooxy)-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-1-(Henicosanoyloxy)-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-(henicosanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[(1-oxoheneicosyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-heneicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate
PA(21:0/22:4(7Z,10Z,13Z,16Z))
PA(21:0_22:4)
PA(43:4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 803.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 440.0±37.1 °C
Index of Refraction: 1.492
Molar Refractivity: 230.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 17.12
ACD/LogD (pH 5.5): 11.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 812070.19
ACD/LogD (pH 7.4): 10.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 95549.50
Polar Surface Area: 129 Å2
Polarizability: 91.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 795.2±3.0 cm3

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