ZAS

5'-azido-5'-deoxyadenosine

Created:	2012-01-05
Last modified:	2024-05-08

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2 entries where ZAS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	35
Aromatic Bond Count	10

2D diagram of ZAS

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Chemical Component Summary
Name	5'-azido-5'-deoxyadenosine
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azidomethyl)oxolane-3,4-diol
Formula	C₁₀ H₁₂ N₈ O₃
Molecular Weight	292.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ncnc2c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=[N+]=[N-])O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N
InChI	InChI	1.06	InChI=1S/C10H12N8O3/c11-8-5-9(14-2-13-8)18(3-15-5)10-7(20)6(19)4(21-10)1-16-17-12/h2-4,6-7,10,19-20H,1H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.06	SKWSYTVBPHWKHX-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	44432644
ChEMBL	CHEMBL232751

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