ChemSpider 2D Image | 2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid | C15H21NO9

2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC15H21NO9
  • Average mass359.328 Da
  • Monoisotopic mass359.121643 Da
  • ChemSpider ID30776589

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid
2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
54964-61-3 [RN]
Acide β-D-glucopyranosiduronique de 2-hydroxy-4-[(1R)-1-hydroxy-2-(méthylamino)éthyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid
2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl β-D-Glucopyranosiduronic acid [ACD/IUPAC Name]
2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl β-δ-Glucopyranosiduronic acid
Epinephrine glucuronide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.2±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 225.0±3.0 cm3

Click to predict properties on the Chemicalize site


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