Found 6 results

Search term: SMULVQLXQOAZLH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-[(2-~13~C)Ethyl]-2-{(1E,3R,4S)-3-hydroxy-2,4-bis[(~13~C)methyl]-1-hexen-1-yl}-4-[hydroxy(~13~C)methyl]-2-(~13~C)methyl-3(2H)-furanone | C1113C5H26O4

5-[(2-13C)Ethyl]-2-{(1E,3R,4S)-3-hydroxy-2,4-bis[(13C)methyl]-1-hexen-1-yl}-4-[hydroxy(13C)methyl]-2-(13C)methyl-3(2H)-furanone

  • Molecular FormulaC1113C5H26O4
  • Average mass287.339 Da
  • Monoisotopic mass287.199890 Da
  • ChemSpider ID8931032

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3(2H)-Furanone, 5-(ethyl-2-13C)-2-[(1E,3R,4S)-3-hydroxy-2,4-di(methyl-13C)-1-hexen-1-yl]-4-(hydroxymethyl-13C)-2-(methyl-13C)- [ACD/Index Name]
5-[(2-13C)Ethyl]-2-{(1E,3R,4S)-3-hydroxy-2,4-bis[(13C)methyl]-1-hexen-1-yl}-4-[hydroxy(13C)methyl]-2-(13C)methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
5-[(2-13C)Ethyl]-2-{(1E,3R,4S)-3-hydroxy-2,4-bis[(13C)methyl]-1-hexen-1-yl}-4-[hydroxy(13C)methyl]-2-(13C)methyl-3(2H)-furanone [ACD/IUPAC Name]
5-[(2-13C)Éthyl]-2-{(1E,3R,4S)-3-hydroxy-2,4-bis[(13C)méthyl]-1-hexén-1-yl}-4-[hydroxy(13C)méthyl]-2-(13C)méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 80.2±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: 31.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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