ChemSpider 2D Image | (3S,6S)-3-(4-Hydroxybenzyl)-6-methyl-2,5-piperazinedione | C12H14N2O3

(3S,6S)-3-(4-Hydroxybenzyl)-6-methyl-2,5-piperazinedione

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID24604831
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,6S)-3-(4-Hydroxybenzyl)-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-(4-Hydroxybenzyl)-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-(4-Hydroxybenzyl)-6-méthyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
(3s,6s)-3-(4-Hydroxybenzyl)-6-Methylpiperazine-2,5-Dione
2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl]-6-methyl-, (3S,6S)- [ACD/Index Name]
1G9
Cyclo-(L-Ala-L-Tyr)
cyclo(L-Tyr-L-Ala)
E'cyclo(L-Tyr-L-Ala)'

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 599.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.4±27.3 °C
Index of Refraction: 1.563
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.43
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.37
Polar Surface Area: 78 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 188.2±3.0 cm3

Click to predict properties on the Chemicalize site






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