ChemSpider 2D Image | (S)-mycophenolic acid lactone | C17H20O6

(S)-mycophenolic acid lactone

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID23976838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-mycophenolic acid lactone
1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-4-methyl-6-[2-[(2S)-tetrahydro-2-methyl-5-oxo-2-furanyl]ethyl]- [ACD/Index Name]
79081-87-1 [RN]
7-Hydroxy-5-methoxy-4-methyl-6-{2-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]ethyl}-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
7-Hydroxy-5-methoxy-4-methyl-6-{2-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]ethyl}-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
7-Hydroxy-5-méthoxy-4-méthyl-6-{2-[(2S)-2-méthyl-5-oxotétrahydro-2-furanyl]éthyl}-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
26675-76-3 [RN]
7-hydroxy-5-methoxy-4-methyl-6-[2-[(2S)-2-methyl-5-oxooxolan-2-yl]ethyl]-3H-2-benzofuran-1-one
7-hydroxy-5-methoxy-4-methyl-6-{2-[(2S)-2-methyl-5-oxooxolan-2-yl]ethyl}-1,3-dihydro-2-benzofuran-1-one
missing
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZDL6BEU50R [DBID]
UNII:ZDL6BEU50R [DBID]
UNII-ZDL6BEU50R [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 227.5±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.81
ACD/KOC (pH 5.5): 792.80
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.59
ACD/KOC (pH 7.4): 790.65
Polar Surface Area: 82 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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