ChemSpider 2D Image | 7-Hydroxy-3-(4-{[(2R)-2-hydroxyhexadecyl]oxy}phenyl)-8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-5-methoxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C42H60O7

7-Hydroxy-3-(4-{[(2R)-2-hydroxyhexadecyl]oxy}phenyl)-8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-5-methoxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC42H60O7
  • Average mass676.922 Da
  • Monoisotopic mass676.433899 Da
  • ChemSpider ID68896211

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-hydroxy-3-[4-[[(2R)-2-hydroxyhexadecyl]oxy]phenyl]-8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-5-methoxy-6-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
7-Hydroxy-3-(4-{[(2R)-2-hydroxyhexadecyl]oxy}phenyl)-8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-5-methoxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-(4-{[(2R)-2-hydroxyhexadecyl]oxy}phenyl)-8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-5-methoxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
7-Hydroxy-3-(4-{[(2R)-2-hydroxyhexadécyl]oxy}phényl)-8-[(2S)-2-hydroxy-3-méthyl-3-butén-1-yl]-5-méthoxy-6-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
7-HYDROXY-8-[(2S)-2-HYDROXY-3-METHYLBUT-3-EN-1-YL]-3-(4-{[(2R)-2-HYDROXYHEXADECYL]OXY}PHENYL)-5-METHOXY-6-(3-METHYLBUT-2-EN-1-YL)-4H-CHROMEN-4-ONE
7-HYDROXY-8-[(2S)-2-HYDROXY-3-METHYLBUT-3-EN-1-YL]-3-(4-{[(2R)-2-HYDROXYHEXADECYL]OXY}PHENYL)-5-METHOXY-6-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 235.1±27.8 °C
Index of Refraction: 1.550
Molar Refractivity: 198.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 11.82
ACD/LogD (pH 5.5): 11.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 622.1±3.0 cm3

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