Found 1 result

Search term: 78442126 (Found by CSID)
ChemSpider 2D Image | (3R,6S)-6-Hydroxy-6-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3-isopropyl-3,5-dimethoxy-3,6-dihydro-2(1H)-pyrazinone | C16H22N2O6

(3R,6S)-6-Hydroxy-6-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3-isopropyl-3,5-dimethoxy-3,6-dihydro-2(1H)-pyrazinone

  • Molecular FormulaC16H22N2O6
  • Average mass338.356 Da
  • Monoisotopic mass338.147797 Da
  • ChemSpider ID78442126

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6S)-6-Hydroxy-6-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3-isopropyl-3,5-dimethoxy-3,6-dihydro-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
(3R,6S)-6-Hydroxy-6-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3-isopropyl-3,5-dimethoxy-3,6-dihydro-2(1H)-pyrazinone [ACD/IUPAC Name]
(3R,6S)-6-Hydroxy-6-[(R)-hydroxy(4-hydroxyphényl)méthyl]-3-isopropyl-3,5-diméthoxy-3,6-dihydro-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
2(1H)-Pyrazinone, 3,6-dihydro-6-hydroxy-6-[(R)-hydroxy(4-hydroxyphenyl)methyl]-3,5-dimethoxy-3-(1-methylethyl)-, (3R,6S)- [ACD/Index Name]
Terezine E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.75
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.56
Polar Surface Area: 121 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 251.9±7.0 cm3

Click to predict properties on the Chemicalize site


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