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17318-21-7 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-
CAS No: 17318-21-7 Catalog No: AG001YON MDL No:
Product Description
Catalog Number:
AG001YON
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-
CAS Number:
17318-21-7
Molecular Formula:
C10H13N5O3
Molecular Weight:
251.2419
IUPAC Name:
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C10H13N5O3/c11-9-5-2-14-15(10(5)13-4-12-9)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2,(H2,11,12,13)/t6-,7+,8+/m0/s1
InChI Key:
GQDCTRKQKKYCHJ-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1ncc2c1ncnc2N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
251.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.246g/mol
Monoisotopic Mass:
251.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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