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Search term: 78439171 (Found by CSID)
ChemSpider 2D Image | (3R,6S)-6-[(R)-Hydroxy(4-hydroxyphenyl)methyl]-3-isopropyl-3,5,6-trimethoxy-3,6-dihydro-2(1H)-pyrazinone | C17H24N2O6

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

  • Molecular FormulaC17H24N2O6
  • Average mass352.382 Da
  • Monoisotopic mass352.163422 Da
  • ChemSpider ID78439171

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.17
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.89
Polar Surface Area: 110 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


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