1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one


Chemical Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CAS Number: 16220-07-8
Product Number: AG001SVU(AGN-PC-002LWN)
Synonyms:
MDL No: MFCD00057096
Molecular Formula: C10H12N4O5
Molecular Weight: 268.2261

Identification/Properties


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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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