ChemSpider 2D Image | (4E)-6-[4-Hydroxy-7-(~13~C)methyl-6-[(~13~C)methyloxy]-3-oxo(~13~C_8_)-1,3-dihydro-2-benzofuran-5-yl]-4-(~13~C)methyl(~13~C_6_)-4-hexenoic acid | 13C17H20O6

(4E)-6-[4-Hydroxy-7-(13C)methyl-6-[(13C)methyloxy]-3-oxo(13C8)-1,3-dihydro-2-benzofuran-5-yl]-4-(13C)methyl(13C6)-4-hexenoic acid

  • Molecular Formula13C17H20O6
  • Average mass337.212 Da
  • Monoisotopic mass337.183014 Da
  • ChemSpider ID57546273

  • 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-(13C)methyl-6-[(13C)methyloxy]-3-oxo(13C8)-1,3-dihydro-2-benzofuran-5-yl]-4-(13C)methyl(13C6)-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-[4-Hydroxy-7-(13C)methyl-6-[(13C)methyloxy]-3-oxo(13C8)-1,3-dihydro-2-benzofuran-5-yl]-4-(13C)methyl(13C6)-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic-1,2,3,4,5,6-13C6 acid, 6-[1,3-dihydro-4-hydroxy-7-(methyl-13C)-6-(methyl-13C-oxy)-3-oxo-5-isobenzofuranyl-1,3,3a,4,5,6,7,7a-13C8]-4-(methyl-13C)-, (4E)- [ACD/Index Name]
Acide (4E)-6-[4-hydroxy-7-(13C)méthyl-6-[(13C)méthyloxy]-3-oxo(13C8)-1,3-dihydro-2-benzofuran-5-yl]-4-(13C)méthyl(13C6)-4-hexénoïque [French] [ACD/IUPAC Name]
(4E)-6-[4-Hydroxy-7-(13C)methyl-6-[(13C)methyloxy]-3-oxo(13C8)-1,3-dihydro-2-benzofuran-5-yl]-4-(13C)methyl(13C6)hex-4-enoic acid
(E)-6-(4-hydroxy-6-(113C)methoxy-7-(113C)methyl-3-oxo-1H-2-benzofuran-5-yl)-4-(113C)methyl(1,2,3,4,5,6-13C6)hex-4-enoic acid
1202866-92-9 [RN]
Mycophenolic acid 13C17

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 248.2±3.0 cm3

Click to predict properties on the Chemicalize site


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