ChemSpider 2D Image | 7-{(2R)-2-Hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C13H21N5O4

7-{(2R)-2-Hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC13H21N5O4
  • Average mass311.337 Da
  • Monoisotopic mass311.159363 Da
  • ChemSpider ID32809570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-7-[(2R)-2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl- [ACD/Index Name]
7-{(2R)-2-Hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-{(2R)-2-Hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-{(2R)-2-Hydroxy-3-[(2-hydroxyéthyl)(méthyl)amino]propyl}-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
2530-97-4 [RN]
UNII-TN1B5910V2
Xanthinol [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.2±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 102 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 219.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement