ChemSpider 2D Image | 4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethyl-pteridin-7-one | C13H17N5O4

4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethyl-pteridin-7-one

  • Molecular FormulaC13H17N5O4
  • Average mass307.305 Da
  • Monoisotopic mass307.128052 Da
  • ChemSpider ID23935257

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

195442-56-9 [RN]
4-Amino-2,6-dimethyl-8-(2???-deoxy-??-D-ribofuranosyl)-7(8H)-pteridone
4-Amino-2,6-dimethyl-8-(2'-deoxy-?-D-ribofuranosyl)-7(8H)-pteridone
4-Amino-2,6-dimethyl-8-(2'-deoxy-b-D-ribofuranosyl)-7(8H)-pteridone
4-Amino-2,6-dimethyl-8-(2'-deoxy-β-D-ribofuranosyl)-7(8H)-pteridone
4-Amino-2,6-dimethyl-8-(2'-deoxy-β-D-ribofuranosyl)-7(8H)-pteridone
4-Amino-8-(2-deoxy-β-D-threo-pentofuranosyl)-2,6-dimethylpteridin-7(8H)-one
4-amino-8-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dimethylpteridin-7-one

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 621.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.8±3.0 kJ/mol
    Flash Point: 329.7±34.3 °C
    Index of Refraction: 1.782
    Molar Refractivity: 73.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.51
    ACD/LogD (pH 5.5): -1.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.10
    ACD/LogD (pH 7.4): -1.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.55
    Polar Surface Area: 134 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 74.7±7.0 dyne/cm
    Molar Volume: 174.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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