5AD

5'-DEOXYADENOSINE

Created:	1999-07-08
Last modified:	2011-06-04

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77 entries where 5AD is found as a standalone ligand2 entries where 5AD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	33
Aromatic Bond Count	10

2D diagram of 5AD

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Chemical Component Summary
Name	5'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methyl-oxolane-3,4-diol
Formula	C₁₀ H₁₃ N₅ O₃
Molecular Weight	251.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N
SMILES	CACTVS	3.341	C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.341	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.03	InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	XGYIMTFOTBMPFP-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	439182
ChEMBL	CHEMBL443485
ChEBI	CHEBI:17319

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