ChemSpider 2D Image | 2'-Deoxy-2-{(E)-[(dimethylamino)methylene]amino}-N-methoxyadenosine | C14H21N7O4

2'-Deoxy-2-{(E)-[(dimethylamino)methylene]amino}-N-methoxyadenosine

  • Molecular FormulaC14H21N7O4
  • Average mass351.361 Da
  • Monoisotopic mass351.165497 Da
  • ChemSpider ID22937928

  • 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

2'-Deoxy-2-{(E)-[(dimethylamino)methylene]amino}-N-methoxyadenosine [ACD/IUPAC Name]
2'-Desoxy-2-{(E)-[(dimethylamino)methylen]amino}-N-methoxyadenosin [German] [ACD/IUPAC Name]
2'-Désoxy-2-{(E)-[(diméthylamino)méthylène]amino}-N-méthoxyadénosine [French] [ACD/IUPAC Name]
869354-99-4 [RN]
Adenosine, 2'-deoxy-2-[[(1E)-(dimethylamino)methylene]amino]-N-methoxy- [ACD/Index Name]
2-(Dimethylaminomethylidene)amino-6-methoxylamino-9-(&;β
2-(Dimethylaminomethylidene)amino-6-methoxylamino-9-(??-D-2-deoxyribofuranosyl)purine
2-(Dimethylaminomethylidene)amino-6-methoxylamino-9-(β-D-2-deoxyribofuranosyl)purine
2-(DIMETHYLAMINOMETHYLIDENE)AMINO-6-METHOXYLAMINO-9-(β-D-2-DEOXYRIBOFURANOSYL)PURINE
MFCD01631001

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 631.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.2±3.0 kJ/mol
    Flash Point: 335.8±34.3 °C
    Index of Refraction: 1.706
    Molar Refractivity: 86.5±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: -1.38
    ACD/LogD (pH 5.5): -0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.57
    ACD/LogD (pH 7.4): -0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.64
    Polar Surface Area: 130 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 62.1±7.0 dyne/cm
    Molar Volume: 222.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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