ChemSpider 2D Image | (2S,3S,4S,6S)-3-Hydroxy-2,4,6-trimethylpentacosanoic acid | C28H56O3

(2S,3S,4S,6S)-3-Hydroxy-2,4,6-trimethylpentacosanoic acid

  • Molecular FormulaC28H56O3
  • Average mass440.742 Da
  • Monoisotopic mass440.422943 Da
  • ChemSpider ID113369086

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4S,6S)-3-Hydroxy-2,4,6-trimethylpentacosanoic acid [ACD/IUPAC Name]
(2S,3S,4S,6S)-3-Hydroxy-2,4,6-trimethylpentacosansäure [German] [ACD/IUPAC Name]
Acide (2S,3S,4S,6S)-3-hydroxy-2,4,6-triméthylpentacosanoïque [French] [ACD/IUPAC Name]
Pentacosanoic acid, 3-hydroxy-2,4,6-trimethyl-, (2S,3S,4S,6S)- [ACD/Index Name]
2S,4S,6S-trimethyl-3S-hydroxy-pentacosanoic acid
Mycolipanolic acid (C28)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 545.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 297.5±21.9 °C
Index of Refraction: 1.468
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 11.06
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 633970.69
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 43100.27
ACD/KOC (pH 7.4): 10253.21
Polar Surface Area: 58 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

Click to predict properties on the Chemicalize site


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