Found 1 result

Search term: 58196950 (Found by CSID)
ChemSpider 2D Image | (3R,6R)-3-(3-Hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-piperazinedione | C16H22N2O4

(3R,6R)-3-(3-Hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-piperazinedione

  • Molecular FormulaC16H22N2O4
  • Average mass306.357 Da
  • Monoisotopic mass306.157959 Da
  • ChemSpider ID58196950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6R)-3-(3-Hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6R)-3-(3-Hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6R)-3-(3-Hydroxy-4-méthoxybenzyl)-6-isobutyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)-, (3R,6R)- [ACD/Index Name]
3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 58.79
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 58.60
Polar Surface Area: 88 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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