ChemSpider 2D Image | 7-Hydroxy-6-[(2S)-2-(hydroxymethyl)butoxy]-4-methyl-2H-chromen-2-one | C15H18O5

7-Hydroxy-6-[(2S)-2-(hydroxymethyl)butoxy]-4-methyl-2H-chromen-2-one

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID23311296

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2H-1-Benzopyran-2-one, 7-hydroxy-6-[(2S)-2-(hydroxymethyl)butoxy]-4-methyl- [ACD/Index Name]
7-Hydroxy-6-[(2S)-2-(hydroxymethyl)butoxy]-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-6-[(2S)-2-(hydroxymethyl)butoxy]-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-6-[(2S)-2-(hydroxyméthyl)butoxy]-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
pavietin
S-6-[2-(hydroxymethyl)butoxy]-7-hydroxy-4-methyl-2H-chromen-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 185.2±22.2 °C
Index of Refraction: 1.574
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.29
ACD/KOC (pH 5.5): 299.38
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 11.69
ACD/KOC (pH 7.4): 172.52
Polar Surface Area: 76 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 221.4±3.0 cm3

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