ChemSpider 2D Image | (3S,4S,5S)-3-[(2E)-3-(3-Heptyl-2-oxiranyl)-2-propenoyl]-3,4-dihydroxy-5-methyl-2-pyrrolidinone | C17H27NO5

(3S,4S,5S)-3-[(2E)-3-(3-Heptyl-2-oxiranyl)-2-propenoyl]-3,4-dihydroxy-5-methyl-2-pyrrolidinone

  • Molecular FormulaC17H27NO5
  • Average mass325.400 Da
  • Monoisotopic mass325.188934 Da
  • ChemSpider ID78437751

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3S,4S,5S)-3-[(2E)-3-(3-Heptyl-2-oxiranyl)-2-propenoyl]-3,4-dihydroxy-5-methyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3S,4S,5S)-3-[(2E)-3-(3-Heptyl-2-oxiranyl)-2-propenoyl]-3,4-dihydroxy-5-methyl-2-pyrrolidinone [ACD/IUPAC Name]
(3S,4S,5S)-3-[(2E)-3-(3-Heptyl-2-oxiranyl)-2-propenoyl]-3,4-dihydroxy-5-méthyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3-[(2E)-3-(3-heptyloxiranyl)-1-oxo-2-propen-1-yl]-3,4-dihydroxy-5-methyl-, (3S,4S,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 288.7±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 112.76
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 112.49
Polar Surface Area: 99 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 263.6±3.0 cm3

Click to predict properties on the Chemicalize site


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