ChemSpider 2D Image | 1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-beta-D-erythro-pentofuranosyl}-4-{(E)-[(dimethylamino)methylene]amino}-1H-pyrazolo[3,4-d]pyrimidine | C34H36N6O5

1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-erythro-pentofuranosyl}-4-{(E)-[(dimethylamino)methylene]amino}-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID22937915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-erythro-pentofuranosyl}-4-{(E)-[(dimethylamino)methylene]amino}-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-desoxy-β-D-erythro-pentofuranosyl}-4-{(E)-[(dimethylamino)methylen]amino}-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1-{5-O-[Bis(4-méthoxyphényl)(phényl)méthyl]-2-désoxy-β-D-érythro-pentofuranosyl}-4-{(E)-[(diméthylamino)méthylène]amino}-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-N-[(1E)-(dimethylamino)methylene]- [ACD/Index Name]
869355-14-6 [RN]
5'-O-(DMT)-N-6-(DMF)-8-AZA-7-DEAZA-2'-DEOXYADENOSINE
5'-O-DIMETHOXYTRITYL-N6-(N,N-DIMETHYLAMINOMETHYLENE)-8-AZA-7-DEAZA-2'-DEOXYADENOSINE
8-aza-7-deaza-2’-deoxy-n2-dmf-5’-o-dmt
MFCD08062096
N'-[1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 779.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.0±3.0 kJ/mol
    Flash Point: 425.3±35.7 °C
    Index of Refraction: 1.639
    Molar Refractivity: 170.3±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): 4.03
    ACD/BCF (pH 5.5): 677.66
    ACD/KOC (pH 5.5): 3685.21
    ACD/LogD (pH 7.4): 4.03
    ACD/BCF (pH 7.4): 686.29
    ACD/KOC (pH 7.4): 3732.09
    Polar Surface Area: 116 Å2
    Polarizability: 67.5±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 473.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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