ChemSpider 2D Image | 4-[(2R)-2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy]-9H-carbazol-1-yl beta-D-glucopyranosiduronic acid | C30H34N2O11

4-[(2R)-2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy]-9H-carbazol-1-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID116591

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(2R)-2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy]-9H-carbazol-1-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(2R)-2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy]-9H-carbazol-1-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(2R)-2-hydroxy-3-{[2-(2-méthoxyphénoxy)éthyl]amino}propoxy]-9H-carbazol-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[(2R)-2-hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy]-9H-carbazol-1-yl [ACD/Index Name]
136657-37-9 [RN]
1-Hydroxycarvedilol O-glucuronide
1-Ohcg
β-D-Glucopyranosiduronic acid, 4-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-9H-carbazol-1-yl, (R)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 937.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 520.9±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 405.9±3.0 cm3

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