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16220-07-8

16220-07-8 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-β-D-ribofuranosyl-

CAS No: 16220-07-8 Catalog No: AG001SVU MDL No:

Product Description

Catalog Number:
AG001SVU
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-β-D-ribofuranosyl-
CAS Number:
16220-07-8
Molecular Formula:
C10H12N4O5
Molecular Weight:
268.2261
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
InChI Key:
KFQUAMTWOJHPEJ-DAGMQNCNSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ncc2c1nc[nH]c2=O
UNII:
WZS8452SEC

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
268.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
268.229g/mol
Monoisotopic Mass:
268.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

Literature

Title Journal
New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. Journal of medicinal chemistry 19951124
Activity of inosine analogs against Pneumocystis carinii in culture. Antimicrobial agents and chemotherapy 19860701
Synthesis and antiviral activity of certain carbamoylpyrrolopyrimidine and pyrazolopyrimidine nucleosides. Journal of medicinal chemistry 19821101

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