ChemSpider 2D Image | (2S)-1-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C47H74O5

(2S)-1-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC47H74O5
  • Average mass719.088 Da
  • Monoisotopic mass718.553650 Da
  • ChemSpider ID7822916

  • 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

(2S)-1-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-1-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxy-2-propanyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2S)-1-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (1S)-2-hydroxy-1-[[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-hydroxypropan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
1-Adrenoyl-2-docosapentaenoyl-sn-glycerol
DAG(22:4/22:5)
DAG(22:4n6/22:5n3)
DAG(22:4w6/22:5w3)
More...

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

LMGL02010301 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 200.9±26.4 °C
Index of Refraction: 1.511
Molar Refractivity: 225.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.25
ACD/LogD (pH 5.5): 12.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 751.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement