ChemSpider 2D Image | (2R,4R,5R,6Z,8R)-2-[(3Z)-1-Chloro-3-hexen-5-yn-1-yl]-8-ethyl-4-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-5-yl acetate | C17H23ClO4

(2R,4R,5R,6Z,8R)-2-[(3Z)-1-Chloro-3-hexen-5-yn-1-yl]-8-ethyl-4-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-5-yl acetate

  • Molecular FormulaC17H23ClO4
  • Average mass326.815 Da
  • Monoisotopic mass326.128479 Da
  • ChemSpider ID27024684

  • 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

(2R,4R,5R,6Z,8R)-2-[(3Z)-1-Chlor-3-hexen-5-in-1-yl]-8-ethyl-4-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-5-yl-acetat [German] [ACD/IUPAC Name]
(2R,4R,5R,6Z,8R)-2-[(3Z)-1-Chloro-3-hexen-5-yn-1-yl]-8-ethyl-4-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-5-yl acetate [ACD/IUPAC Name]
2H-Oxocin-4,5-diol, 2-[(3Z)-1-chloro-3-hexen-5-yn-1-yl]-8-ethyl-3,4,5,8-tetrahydro-, 5-acetate, (2R,4R,5R,6Z,8R)- [ACD/Index Name]
Acétate de (2R,4R,5R,6Z,8R)-2-[(3Z)-1-chloro-3-hexén-5-yn-1-yl]-8-éthyl-4-hydroxy-3,4,5,8-tétrahydro-2H-oxocin-5-yle [French] [ACD/IUPAC Name]
acteoxyhydroxychlorolauthisa3,11dien1yne

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 217.9±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.64
ACD/KOC (pH 5.5): 725.69
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.64
ACD/KOC (pH 7.4): 725.69
Polar Surface Area: 56 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 282.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement