ChemSpider 2D Image | 2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-D-valinate | C21H26N6O6

2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-D-valinate

  • Molecular FormulaC21H26N6O6
  • Average mass458.468 Da
  • Monoisotopic mass458.191376 Da
  • ChemSpider ID48057351

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-D-valinate [ACD/IUPAC Name]
2-[(2-Amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl-N-[(benzyloxy)carbonyl]-D-valinat [German] [ACD/IUPAC Name]
D-Valine, N-[(phenylmethoxy)carbonyl]-, 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-D-valinate de 2-[(2-amino-6-hydroxy-9H-purin-9-yl)méthoxy]éthyle [French] [ACD/IUPAC Name]
(R)-2-((2-imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)ethyl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
124832-31-1 [RN]
124832-32-2 [RN]
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
N-Carboxybenzyl D-Valacyclovir

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.644
    Molar Refractivity: 116.1±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): -0.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 164 Å2
    Polarizability: 46.0±0.5 10-24cm3
    Surface Tension: 56.8±7.0 dyne/cm
    Molar Volume: 320.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement