ChemSpider 2D Image | (2S)-1-[(1S,2S)-2-{(S)-Hydroxy[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}cyclopropyl]-1-oxo-2-propanyl (2E)-3-(4-methoxyphenyl)acrylate | C22H24O7

(2S)-1-[(1S,2S)-2-{(S)-Hydroxy[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}cyclopropyl]-1-oxo-2-propanyl (2E)-3-(4-methoxyphenyl)acrylate

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID29415117

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-3-(4-Méthoxyphényl)acrylate de (2S)-1-[(1S,2S)-2-{(S)-hydroxy[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]méthyl}cyclopropyl]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(1S,2S)-2-{(S)-Hydroxy[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}cyclopropyl]-1-oxo-2-propanyl (2E)-3-(4-methoxyphenyl)acrylate [ACD/IUPAC Name]
(2S)-1-[(1S,2S)-2-{(S)-Hydroxy[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}cyclopropyl]-1-oxo-2-propanyl-(2E)-3-(4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-methoxyphenyl)-, (1S)-2-[(1S,2S)-2-[(S)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]cyclopropyl]-1-methyl-2-oxoethyl ester, (2E)- [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: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 219.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.37
ACD/KOC (pH 5.5): 159.31
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 159.31
Polar Surface Area: 99 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 307.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement