ChemSpider 2D Image | 14-hydroxyterezine D | C19H23N3O3

14-hydroxyterezine D

  • Molecular FormulaC19H23N3O3
  • Average mass341.404 Da
  • Monoisotopic mass341.173950 Da
  • ChemSpider ID23329508

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-1-Hydroxy-3-methyl-6-{[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-1-Hydroxy-3-methyl-6-{[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-1-Hydroxy-3-méthyl-6-{[7-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
14-hydroxyterezine D
2,5-Piperazinedione, 1-hydroxy-3-methyl-6-[[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-, (3S,6S)- [ACD/Index Name]
(3S,6S)-1-hydroxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}piperazine-2,5-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487280/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.80
ACD/KOC (pH 5.5): 164.97
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 132.82
Polar Surface Area: 85 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 270.0±3.0 cm3

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