ChemSpider 2D Image | 2,8-Diamino-9-[(3xi)-beta-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C10H14N6O5

2,8-Diamino-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H14N6O5
  • Average mass298.255 Da
  • Monoisotopic mass298.102570 Da
  • ChemSpider ID23977371

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,8-Diamino-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2,8-Diamino-9-[(3ξ)-β-D-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2,8-Diamino-9-[(3ξ)-β-D-thréo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2,8-diamino-1,9-dihydro-9-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
2,8-diamino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
3868-32-4 [RN]

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

    Density: 2.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 2.040
    Molar Refractivity: 62.7±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 8
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: -1.76
    ACD/LogD (pH 5.5): -2.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.82
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.85
    Polar Surface Area: 181 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 147.1±7.0 dyne/cm
    Molar Volume: 122.2±7.0 cm3

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