ChemSpider 2D Image | (3S,5S)-5-(3-Acetyl-2,6-dihydroxyphenyl)-3-methoxydihydro-2(3H)-furanone | C13H14O6

(3S,5S)-5-(3-Acetyl-2,6-dihydroxyphenyl)-3-methoxydihydro-2(3H)-furanone

  • Molecular FormulaC13H14O6
  • Average mass266.247 Da
  • Monoisotopic mass266.079041 Da
  • ChemSpider ID78436620

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5S)-5-(3-Acetyl-2,6-dihydroxyphenyl)-3-methoxydihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,5S)-5-(3-Acetyl-2,6-dihydroxyphenyl)-3-methoxydihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,5S)-5-(3-Acétyl-2,6-dihydroxyphényl)-3-méthoxydihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-(3-acetyl-2,6-dihydroxyphenyl)dihydro-3-methoxy-, (3S,5S)- [ACD/Index Name]
Antafumicin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 207.0±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.51
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 35.60
Polar Surface Area: 93 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 187.7±5.0 cm3

Click to predict properties on the Chemicalize site


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