1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,4-amino-1-b-D-ribofuranosyl- supplier

Name
4-amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
EINECS
CAS No. 55559-55-2
Article Data4
CAS DataBase
Density 2.07 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₆O₄
Boiling Point 720.8 °C at 760 mmHg
Molecular Weight 292.254
Flash Point 389.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Azatoyocamycin;NSC 131915;NSC 172600;4-Amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile;
PSA
LogP

1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,4-amino-1-b-D-ribofuranosyl- Specification

The 1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,4-amino-1-b-D-ribofuranosyl-, with the CAS registry number 55559-55-2, is also known as 6-Azatoyocamycin. This chemical's molecular formula is C₁₁H₁₂N₆O₄ and molecular weight is 292.25. What's more, its systematic name is 4-Amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile.

Physical properties of 1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,4-amino-1-b-D-ribofuranosyl- are: (1)ACD/LogP: -2.05; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 107.55 Å²; (7)Index of Refraction: 1.917; (8)Molar Refractivity: 66.48 cm³; (9)Molar Volume: 141 cm³; (10)Polarizability: 26.35×10^-24cm³; (11)Surface Tension: 111.7 dyne/cm; (12)Density: 2.07 g/cm³; (13)Flash Point: 389.7 °C; (14)Enthalpy of Vaporization: 110.54 kJ/mol; (15)Boiling Point: 720.8 °C at 760 mmHg; (16)Vapour Pressure: 8.33E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nn(c2ncnc(c12)N)C3OC(C(O)C3O)CO
(2)InChI: InChI=1S/C11H12N6O4/c12-1-4-6-9(13)14-3-15-10(6)17(16-4)11-8(20)7(19)5(2-18)21-11/h3,5,7-8,11,18-20H,2H2,(H2,13,14,15)
(3)InChIKey: XIOWKWJXDQTVCE-UHFFFAOYSA-N

Product Name

4-amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile,4-amino-1-b-D-ribofuranosyl- Specification

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