ChemSpider 2D Image | 4-Amino-7-(beta-D-lyxofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C12H13N5O4

4-Amino-7-(β-D-lyxofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC12H13N5O4
  • Average mass291.263 Da
  • Monoisotopic mass291.096741 Da
  • ChemSpider ID32077103

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Amino-7-(β-D-lyxofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
4-Amino-7-(β-D-lyxofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
4-Amino-7-(β-D-lyxofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-β-D-lyxofuranosyl- [ACD/Index Name]
[606-58-6] [RN]
KW-6002 |
Toyocamycin
UY9100000
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Adenosine analog; antifungal antibiotic Tocris Bioscience 5270
      Adenosine analog; antifungal antibiotic. Inhibits RNA self-cleavage in HEK79 cells and PI 3-kinase activity in A431 epidermoid carcinoma cell membrane fractions. Also inhibits thapsigargin-induced XBP 1-luciferase activation and induces apoptosis in multiple myeloma cell lines. Tocris Bioscience 5270
      Adenosine analog; antifungal antibiotic. Inhibits RNA self-cleavage in HEK79 cells and PI 3-kinase activity in A431 epidermoid carcinoma cell membrane fractions. Also inhibits thapsigargin-induced XBP1-luciferase activation and induces apoptosis in multiple myeloma cell lines. Tocris Bioscience 5270
      Antibiotics Tocris Bioscience 5270
      Other Pharmacology Tocris Bioscience 5270

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

Density: 1.9±0.1 g/cm3
Boiling Point: 721.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.849
Molar Refractivity: 68.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 150 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 96.3±7.0 dyne/cm
Molar Volume: 152.4±7.0 cm3

Click to predict properties on the Chemicalize site


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