ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C45H72O5

(2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC45H72O5
  • Average mass693.050 Da
  • Monoisotopic mass692.537964 Da
  • ChemSpider ID24766170

  • 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-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2S)-1-hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (1S)-2-hydroxy-1-[[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Meadoyl-2-docosapentaenoyl-sn-glycerol
1-Meadoyl-2-osbondoyl-sn-glycerol
DAG(20:3/22:5)
DAG(20:3n9/22:5n6)
DAG(20:3w9/22:5w6)
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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: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 197.8±26.4 °C
Index of Refraction: 1.508
Molar Refractivity: 216.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.18
ACD/LogD (pH 5.5): 13.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 725.1±3.0 cm3

Click to predict properties on the Chemicalize site


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