Found 91 results

Search term: MF = 'C_{10}H_{12}ClN_{5}O_{4}'
ChemSpider 2D Image | (3R,4S,5R)-2-(6-amino-8-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | C10H12ClN5O4

(3R,4S,5R)-2-(6-amino-8-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC10H12ClN5O4
  • Average mass301.686 Da
  • Monoisotopic mass301.057770 Da
  • ChemSpider ID28467523

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[34408-14-5] [RN]
34408-14-5 [RN]
8-Chloradenosin [German] [ACD/IUPAC Name]
8-Chloroadenosine [ACD/IUPAC Name]
8-Chloroadénosine [French] [ACD/IUPAC Name]
Adenosine, 8-chloro- [ACD/Index Name]

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 100 mM in water and to 50 mM in DMSO Tocris Bioscience 4436
      Soluble to 20 mM in water with gentle warming and to 100 mM in DMSO Tocris Bioscience 4436
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 4436
      Cell Metabolism Tocris Bioscience 4436
      Cytotoxic nucleoside analog; inhibits RNA synthesis Tocris Bioscience 4436
      DNA, RNA and Protein Synthesis Tocris Bioscience 4436
      Nucleoside analog; metabolized in vivo to 8-Chloro-ATP. Incorporates into RNA during transcription and inhibits RNA synthesis. Exhibits cytotoxicity in MM.1S, RPMI-8226 and U266 cancer cell lines; ind uces G2/M cell cycle arrest and mitotic catastrophe in A549 and H1299 cells. Tocris Bioscience 4436
      Nucleoside analog; metabolized in vivo to 8-Chloro-ATP. Incorporates into RNA during transcription and inhibits RNA synthesis. Exhibits cytotoxicity in MM.1S, RPMI-8226 and U266 cancer cell lines; induces G2/M cell cycle arrest and mitotic catastrophe in A549 and H1299 cells. Tocris Bioscience 4436

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

Density: 2.2±0.1 g/cm3
Boiling Point: 707.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.6±35.7 °C
Index of Refraction: 1.912
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.47
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.50
Polar Surface Area: 140 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 137.5±7.0 cm3

Click to predict properties on the Chemicalize site


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