2ND

2'-DEOXYINOSINE

Created:	2005-03-15
Last modified:	2011-06-04

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1 entries where 2ND is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	3
Bond Count	32
Aromatic Bond Count	5

2D diagram of 2ND

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Chemical Component Summary
Name	2'-DEOXYINOSINE
Systematic Name (OpenEye OEToolkits)	9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Formula	C₁₀ H₁₂ N₄ O₄
Molecular Weight	252.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO
SMILES	CACTVS	3.341	OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC=Nc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O
InChI	InChI	1.03	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
InChIKey	InChI	1.03	VGONTNSXDCQUGY-RRKCRQDMSA-N

Drug Info: DrugBank

DrugBank ID	DB02380
Name	Deoxyinosine
Groups	experimental
Synonyms	2'-deoxyinosine Deoxyinosine 9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-ol
Categories	Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides
CAS number	890-38-0

Related Resource References

Resource Name	Reference
PubChem	65058, 5280798, 135398593
ChEMBL	CHEMBL1229971
ChEBI	CHEBI:28997

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