ChemSpider 2D Image | 2-Amino-7-[(3xi)-beta-D-threo-pentofuranosyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H14N4O5

2-Amino-7-[(3ξ)-β-D-threo-pentofuranosyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H14N4O5
  • Average mass282.253 Da
  • Monoisotopic mass282.096405 Da
  • ChemSpider ID58780909

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-7-[(3ξ)-β-D-threo-pentofuranosyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-7-[(3ξ)-β-D-threo-pentofuranosyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-7-[(3ξ)-β-D-thréo-pentofuranosyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-7-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
2-amino-7-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
62160-23-0 [RN]
7-deaza-guanosine
7-Deazaguanosine

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

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.874
    Molar Refractivity: 62.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: -1.41
    ACD/LogD (pH 5.5): -1.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.73
    ACD/LogD (pH 7.4): -1.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.45
    Polar Surface Area: 142 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 104.4±7.0 dyne/cm
    Molar Volume: 136.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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