ChemSpider 2D Image | MFCD10001681 | C17H17D3O6

MFCD10001681

  • Molecular FormulaC17H17D3O6
  • Average mass323.356 Da
  • Monoisotopic mass323.144806 Da
  • ChemSpider ID23936777

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(4E)-6-{4-Hydroxy-7-methyl-6-[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-{4-Hydroxy-7-methyl-6-[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexensäure [German] [ACD/IUPAC Name]
1185242-90-3 [RN]
200-835-2 [EINECS]
4-Hexenoic acid, 6-[1,3-dihydro-4-hydroxy-7-methyl-6-(methyl-d3-oxy)-3-oxo-5-isobenzofuranyl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-6-{4-hydroxy-7-méthyl-6-[(2H3)méthyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-méthyl-4-hexénoïque [French] [ACD/IUPAC Name]
MFCD10001681
[1185242-90-3] [RN]
2033106-92-0 [RN]
Mycophenolate D3
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Mycophenolic acid D3 is deuterium labeled Mycophenolic acid, which is an an immunosuppresant drug and has potent anti-proliferative activity. MedChem Express HY-B0421S
      Others MedChem Express HY-B0421S

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

Density: 1.3±0.0 g/cm3
Boiling Point: 611.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 95.5±0.0 kJ/mol
Flash Point: 225.8±0.0 °C
Index of Refraction: 1.585
Molar Refractivity: 83.1±0.0 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 13.36
ACD/KOC (pH 5.5): 126.22
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 93 Å2
Polarizability: 32.9±0.0 10-24cm3
Surface Tension: 54.7±0.0 dyne/cm
Molar Volume: 248.2±0.0 cm3

Click to predict properties on the Chemicalize site


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