ChemSpider 2D Image | 4-Hydroxy-1-[({(E)-[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline | C28H40N2O9

4-Hydroxy-1-[({(E)-[(3E,8ξ,9ξ,14ξ)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline

  • Molecular FormulaC28H40N2O9
  • Average mass548.625 Da
  • Monoisotopic mass548.273376 Da
  • ChemSpider ID17464722

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 9 defined stereocentres

More details:

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

4-Hydroxy-1-[({(E)-[(3E,8ξ,9ξ,14ξ)-11,17,21-trihydroxy-20-oxopregn-4-en-3-yliden]amino}oxy)acetyl]prolin [German] [ACD/IUPAC Name]
4-Hydroxy-1-[({(E)-[(3E,8ξ,9ξ,14ξ)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline [ACD/IUPAC Name]
4-Hydroxy-1-[2-({(E)-[(3E,8ξ,9ξ,14ξ)-11,17,21-trihydroxy-20-oxoprégn-4-én-3-ylidène]amino}oxy)acétyl]proline [French] [ACD/IUPAC Name]
Proline, 4-hydroxy-1-[2-[[[(3E,8ξ,9ξ,14ξ)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino]oxy]acetyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 439.7±37.1 °C
Index of Refraction: 1.688
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 354.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement