ChemSpider 2D Image | 2,4-pyrrolidinedione, 3-[(2E,4E,6E,8E,10Z)-11-chloro-1-hydroxy-2,4,6,8,10-dodecapentaen-1-ylidene]-5-(2-hydroxy-2-iminoethyl)-1-[(2xi)-beta-D-threo-pentopyranosyl]-, (3Z,5S)- | C23H27ClN2O8

2,4-pyrrolidinedione, 3-[(2E,4E,6E,8E,10Z)-11-chloro-1-hydroxy-2,4,6,8,10-dodecapentaen-1-ylidene]-5-(2-hydroxy-2-iminoethyl)-1-[(2ξ)-β-D-threo-pentopyranosyl]-, (3Z,5S)-

  • Molecular FormulaC23H27ClN2O8
  • Average mass494.922 Da
  • Monoisotopic mass494.145599 Da
  • ChemSpider ID21431288

  • 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

2,4-pyrrolidinedione, 3-[(2E,4E,6E,8E,10Z)-11-chloro-1-hydroxy-2,4,6,8,10-dodecapentaen-1-ylidene]-5-(2-hydroxy-2-iminoethyl)-1-[(2ξ)-β-D-threo-pentopyranosyl]-, (3Z,5S)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.3±6.0 kJ/mol
Flash Point: 448.2±37.1 °C
Index of Refraction: 1.611
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 348.9±7.0 cm3

Click to predict properties on the Chemicalize site


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