ChemSpider 2D Image | Bis[2-(hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenyl] (2R,3R)-2,3-dihydroxysuccinate | C30H44N2O10

Bis[2-(hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenyl] (2R,3R)-2,3-dihydroxysuccinate

  • Molecular FormulaC30H44N2O10
  • Average mass592.678 Da
  • Monoisotopic mass592.299622 Da
  • ChemSpider ID57501961

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R)-2,3-Dihydroxysuccinate de bis[2-(hydroxyméthyl)-4-{(1R)-1-hydroxy-2-[(2-méthyl-2-propanyl)amino]éthyl}phényle] [French] [ACD/IUPAC Name]
Bis[2-(hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenyl] (2R,3R)-2,3-dihydroxysuccinate [ACD/IUPAC Name]
Bis[2-(hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenyl]-(2R,3R)tartrat [German] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dihydroxy-, bis[4-[(1R)-2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenyl] ester, (2R,3R)- [ACD/Index Name]
(R)-4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2R,3R)-2,3-dihydroxysuccinate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.5±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement