1HZ

5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine

Created:	2013-02-09
Last modified:	2024-09-27

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1 entries where 1HZ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	4
Bond Count	57
Aromatic Bond Count	16

2D diagram of 1HZ

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Chemical Component Summary
Name	5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
Systematic Name (OpenEye OEToolkits)	N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-[2,3-bis(oxidanyl)phenyl]ethanesulfonamide
Formula	C₁₈ H₂₂ N₆ O₇ S
Molecular Weight	466.468
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCc4cccc(O)c4O
SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O)CCc4cccc(O)c4O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)CCS(=O)(=O)NCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](=O)(=O)CCc4cccc(O)c4O)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
InChI	InChI	1.03	InChI=1S/C18H22N6O7S/c19-16-12-17(21-7-20-16)24(8-22-12)18-15(28)14(27)11(31-18)6-23-32(29,30)5-4-9-2-1-3-10(25)13(9)26/h1-3,7-8,11,14-15,18,23,25-28H,4-6H2,(H2,19,20,21)/t11-,14-,15-,18-/m1/s1
InChIKey	InChI	1.03	JESVQFVPCGDKBX-XKLVTHTNSA-N

Related Resource References

Resource Name	Reference
PubChem	137347961

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