ChemSpider 2D Image | (2S)-3-{[(2R)-2-Hydroxyhenicosyl]oxy}-1,2-propanediol | C24H50O4

(2S)-3-{[(2R)-2-Hydroxyhenicosyl]oxy}-1,2-propanediol

  • Molecular FormulaC24H50O4
  • Average mass402.651 Da
  • Monoisotopic mass402.370911 Da
  • ChemSpider ID113371323

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-{[(2R)-2-Hydroxyhenicosyl]oxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{[(2R)-2-Hydroxyhenicosyl]oxy}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{[(2R)-2-Hydroxyhénicosyl]oxy}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[[(2R)-2-hydroxyheneicosyl]oxy]-, (2S)- [ACD/Index Name]
1-O-(2R-hydroxy-heneicosanyl)-sn-glycerol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 540.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.6±25.9 °C
Index of Refraction: 1.475
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 355310.59
ACD/KOC (pH 5.5): 327113.53
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 355310.22
ACD/KOC (pH 7.4): 327113.16
Polar Surface Area: 70 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 424.3±3.0 cm3

Click to predict properties on the Chemicalize site


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