ChemSpider 2D Image | (3S,6S)-3-(3,4-Dihydroxybenzyl)-6-(4-hydroxybenzyl)-2,5-piperazinedione | C18H18N2O5

(3S,6S)-3-(3,4-Dihydroxybenzyl)-6-(4-hydroxybenzyl)-2,5-piperazinedione

  • Molecular FormulaC18H18N2O5
  • Average mass342.346 Da
  • Monoisotopic mass342.121582 Da
  • ChemSpider ID35033633

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-3-(3,4-Dihydroxybenzyl)-6-(4-hydroxybenzyl)-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-(3,4-Dihydroxybenzyl)-6-(4-hydroxybenzyl)-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-(3,4-Dihydroxybenzyl)-6-(4-hydroxybenzyl)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
(3s,6s)-3-(3,4-Dihydroxybenzyl)-6-(4-Hydroxybenzyl)piperazine-2,5-Dione
2,5-Piperazinedione, 3-[(3,4-dihydroxyphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]-, (3S,6S)- [ACD/Index Name]
1G7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.74
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.38
Polar Surface Area: 119 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

Click to predict properties on the Chemicalize site


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