ChemSpider 2D Image | (3S,4S,5S)-3-Hydroxy-4-(~18~O)hydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(2S,3S)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-(4-~13~C)pyrrolidinone | C1813CH31NO518O

(3S,4S,5S)-3-Hydroxy-4-(18O)hydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(2S,3S)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-(4-13C)pyrrolidinone

  • Molecular FormulaC1813CH31NO518O
  • Average mass372.445 Da
  • Monoisotopic mass372.222748 Da
  • ChemSpider ID8746717

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4S,5S)-3-Hydroxy-4-(18O)hydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(2S,3S)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-(4-13C)pyrrolidinon [German] [ACD/IUPAC Name]
(3S,4S,5S)-3-Hydroxy-4-(18O)hydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(2S,3S)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-(4-13C)pyrrolidinone [ACD/IUPAC Name]
(3S,4S,5S)-3-Hydroxy-4-(18O)hydroxy-5-(hydroxyméthyl)-3-{(2E)-3-[(2S,3S)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-(4-13C)pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone-4-13C, 3-hydroxy-4-(hydroxy-18O)-5-(hydroxymethyl)-3-[(2E)-3-[(2S,3S)-3-nonyloxiranyl]-1-oxo-2-propen-1-yl]-, (3S,4S,5S)- [ACD/Index Name]

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: 1.574
Molar Refractivity: 97.5±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: 38.6±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 295.2±3.0 cm3

Click to predict properties on the Chemicalize site


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