8AN

3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)

Created:	2008-03-27
Last modified:	2024-09-27

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1 entries where 8AN is found as a standalone ligand7 entries where 8AN is covalently linked to polymer or other heterogen groups 30 entries where 8AN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	40
Aromatic Bond Count	10

2D diagram of 8AN

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Chemical Component Summary
Name	3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₆ O₆ P
Molecular Weight	346.236
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N
SMILES	CACTVS	3.341	N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O)N
Canonical SMILES	CACTVS	3.341	N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N
InChI	InChI	1.03	InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1
InChIKey	InChI	1.03	WIVGZDLLXCRANL-QYYRPYCUSA-N

Related Resource References

Resource Name	Reference
PubChem	46173764

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