ChemSpider 2D Image | (2E)-3-{(2R)-3-[(2S,4R)-4-Hydroxy-2-hexanyl]-2-methyl-2-oxiranyl}-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]acrylamide | C18H33NO4

(2E)-3-{(2R)-3-[(2S,4R)-4-Hydroxy-2-hexanyl]-2-methyl-2-oxiranyl}-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]acrylamide

  • Molecular FormulaC18H33NO4
  • Average mass327.459 Da
  • Monoisotopic mass327.240967 Da
  • ChemSpider ID34542308

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E)-3-{(2R)-3-[(2S,4R)-4-Hydroxy-2-hexanyl]-2-methyl-2-oxiranyl}-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-3-{(2R)-3-[(2S,4R)-4-Hydroxy-2-hexanyl]-2-methyl-2-oxiranyl}-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]acrylamide [ACD/IUPAC Name]
(2E)-3-{(2R)-3-[(2S,4R)-4-Hydroxy-2-hexanyl]-2-méthyl-2-oxiranyl}-N-[(2S,3S)-1-hydroxy-3-méthyl-2-pentanyl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-3-[(2R)-3-[(1S,3R)-3-hydroxy-1-methylpentyl]-2-methyloxiranyl]-, (2E)- [ACD/Index Name]
Curvularide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.9±29.6 °C
Index of Refraction: 1.532
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.64
ACD/KOC (pH 5.5): 162.90
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.64
ACD/KOC (pH 7.4): 162.90
Polar Surface Area: 82 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement