ChemSpider 2D Image | (2S,3S,7S,11S)-3,7,11,15-Tetramethyl-1,2,3-hexadecanetriol | C20H42O3

(2S,3S,7S,11S)-3,7,11,15-Tetramethyl-1,2,3-hexadecanetriol

  • Molecular FormulaC20H42O3
  • Average mass330.546 Da
  • Monoisotopic mass330.313385 Da
  • ChemSpider ID34988002

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,7S,11S)-3,7,11,15-Tetramethyl-1,2,3-hexadecanetriol [ACD/IUPAC Name]
(2S,3S,7S,11S)-3,7,11,15-Tétraméthyl-1,2,3-hexadécanetriol [French] [ACD/IUPAC Name]
(2S,3S,7S,11S)-3,7,11,15-Tetramethyl-1,2,3-hexadecantriol [German] [ACD/IUPAC Name]
1,2,3-Hexadecanetriol, 3,7,11,15-tetramethyl-, (2S,3S,7S,11S)- [ACD/Index Name]
277-923-2 [EINECS]
74563-64-7 [RN]
Phytantriol
UNII-8LVI07A72W

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

Density: 0.9±0.1 g/cm3
Boiling Point: 394.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 195.9±17.8 °C
Index of Refraction: 1.474
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5229.54
ACD/KOC (pH 5.5): 15968.66
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5229.54
ACD/KOC (pH 7.4): 15968.66
Polar Surface Area: 61 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 352.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement