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Search term: JJGIUCCUMYQUIO-UGSOOPFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4R)-4-(3-Hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-2-azetidinone | C20H23NO7

(3R,4R)-4-(3-Hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-2-azetidinone

  • Molecular FormulaC20H23NO7
  • Average mass389.399 Da
  • Monoisotopic mass389.147461 Da
  • ChemSpider ID90664022

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(3-Hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-2-azetidinon [German] [ACD/IUPAC Name]
(3R,4R)-4-(3-Hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-2-azetidinone [ACD/IUPAC Name]
(3R,4R)-4-(3-Hydroxy-4-méthoxyphényl)-3-(hydroxyméthyl)-1-(3,4,5-triméthoxyphényl)-2-azétidinone [French] [ACD/IUPAC Name]
2-Azetidinone, 4-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-, (3R,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.9±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.42
ACD/KOC (pH 5.5): 173.32
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.37
ACD/KOC (pH 7.4): 172.35
Polar Surface Area: 98 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

Click to predict properties on the Chemicalize site


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