ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate | C27H42O4

(2S)-2,3-Dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID24765808

  • 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)-2,3-Dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-Tétracosahexaénoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
6,9,12,15,18,21-Tetracosahexaenoic acid, (2S)-2,3-dihydroxypropyl ester, (6Z,9Z,12Z,15Z,18Z,21Z)- [ACD/Index Name]
(2S)-2,3-dihydroxypropyl (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)

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: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 172.4±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19028.44
ACD/KOC (pH 5.5): 40251.64
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19028.42
ACD/KOC (pH 7.4): 40251.59
Polar Surface Area: 67 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

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