ChemSpider 2D Image | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3-(hexadecyloxy)-5,7-chromanediol | C31H46O6

(2R,3S)-2-(3,4-Dihydroxyphenyl)-3-(hexadecyloxy)-5,7-chromanediol

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID137548

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(3,4-Dihydroxyphenyl)-3-(hexadecyloxy)-5,7-chromandiol [German] [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3-(hexadecyloxy)-5,7-chromanediol [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphényl)-3-(hexadécyloxy)-5,7-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5,7-diol, 2-(3,4-dihydroxyphenyl)-3-(hexadecyloxy)-3,4-dihydro-, (2R,3S)- [ACD/Index Name]
2H-1-Benzopyran-5,7-diol, 2-(3,4-dihydroxyphenyl)-3-(hexadecyloxy)-3,4-dihydro-, (2R-trans)-
71628-09-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 366.7±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 9.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1899347.88
ACD/LogD (pH 7.4): 9.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1853119.13
Polar Surface Area: 99 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 440.3±5.0 cm3

Click to predict properties on the Chemicalize site


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