ChemSpider 2D Image | (2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-1,2,3,22,23-pentol | C30H54O5

(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-1,2,3,22,23-pentol

  • Molecular FormulaC30H54O5
  • Average mass494.747 Da
  • Monoisotopic mass494.397125 Da
  • ChemSpider ID23314716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraen-1,2,3,22,23-pentol [German] [ACD/IUPAC Name]
(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-1,2,3,22,23-pentol [ACD/IUPAC Name]
(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-Hexaméthyl-6,10,14,18-tétracosatétraène-1,2,3,22,23-pentol [French] [ACD/IUPAC Name]
(2S,3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
6,10,14,18-Tetracosatetraene-1,2,3,22,23-pentol, 2,6,10,15,19,23-hexamethyl-, (2S,3R,6E,10E,14E,18E,22R)- [ACD/Index Name]
2-hydroxymethyl-2,3,22,23-tetrahydroxy-2,6,10,15,19,23-hexamethyl-6,10,14,18-tetracosatetraene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403076/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 256.8±26.1 °C
Index of Refraction: 1.522
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9298.14
ACD/KOC (pH 5.5): 24108.37
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9298.13
ACD/KOC (pH 7.4): 24108.37
Polar Surface Area: 101 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 485.8±3.0 cm3

Click to predict properties on the Chemicalize site


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