ChemSpider 2D Image | (3S,4S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(3R)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-pyrrolidinone | C19H31NO6

(3S,4S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(3R)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-pyrrolidinone

  • Molecular FormulaC19H31NO6
  • Average mass369.453 Da
  • Monoisotopic mass369.215149 Da
  • ChemSpider ID129176847

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,4S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(3R)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3S,4S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-3-{(2E)-3-[(3R)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-pyrrolidinone [ACD/IUPAC Name]
(3S,4S,5S)-3,4-Dihydroxy-5-(hydroxyméthyl)-3-{(2E)-3-[(3R)-3-nonyl-2-oxiranyl]-2-propenoyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3,4-dihydroxy-5-(hydroxymethyl)-3-[(2E)-3-[(3R)-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: 618.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 327.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.38
ACD/KOC (pH 5.5): 257.48
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.32
ACD/KOC (pH 7.4): 256.55
Polar Surface Area: 119 Å2
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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