Compound C12H13N5O4

4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

CAS: 606-58-6

Molecular Formula	`C12H13N5O4`
Molecular Weight	291.26 g/mol
LogP	-1.6
Topological Polar Surface Area	150.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	291.09674
Heavy Atoms	21
Complexity	443.0

Chemical Identifiers

CAS Number	606-58-6
SMILES	`C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N`
InChIKey	`XOKJUSAYZUAMGJ-WOUKDFQISA-N`

📖 Product Overview

Compound C12H13N5O4 (CAS: 606-58-6) is a chemical compound with molecular formula C12H13N5O4 and molecular weight 291.26 g/mol. Its IUPAC systematic name is 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile. LogP -1.6 Topological Polar Surface Area 150.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 2 Exact Mass 291.09674 Heavy Atoms 21 Complexity 443.0 InChI Key: XOKJUSAYZUAMGJ-WOUKDFQISA-N. SMILES: C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N.

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