Found 1 result

Search term: 74854639 (Found by CSID)
ChemSpider 2D Image | 2-Hydroxy-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C42H70O5

2-Hydroxy-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC42H70O5
  • Average mass655.002 Da
  • Monoisotopic mass654.522339 Da
  • ChemSpider ID74854639

  • 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

(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de 2-hydroxy-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
2-Hydroxy-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
2-Hydroxy-3-[(9Z,12Z)-9,12-nonadecadienoyloxy]propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-nonadecadien-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
DG(18:2n6/0:0/20:4n3)

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: 705.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 195.4±26.4 °C
Index of Refraction: 1.499
Molar Refractivity: 202.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.63
ACD/LogD (pH 5.5): 12.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 688.4±3.0 cm3

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