8OS

5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine

Created:	2017-02-22
Last modified:	2017-03-08

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8 entries where 8OS is found as a standalone ligand2 entries where 8OS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	4
Bond Count	50
Aromatic Bond Count	10

2D diagram of 8OS

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Chemical Component Summary
Name	5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-methyl-1~{H}-imidazol-5-yl)phosphinic acid
Formula	C₁₄ H₁₈ N₇ O₇ P
Molecular Weight	427.309
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(N)=Nc2c1ncn2C3OC(C(C3O)O)COP(c4ncnc4C)(O)=O
SMILES	CACTVS	3.385	Cc1nc[nH]c1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N
SMILES	OpenEye OEToolkits	2.0.6	Cc1c([nH]cn1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O
Canonical SMILES	CACTVS	3.385	Cc1nc[nH]c1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O
InChI	InChI	1.03	InChI=1S/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)/t6-,8-,9-,13-/m1/s1
InChIKey	InChI	1.03	MUFMHNGPMISZRD-HTVVRFAVSA-N

Related Resource References

Resource Name	Reference
PubChem	135567321, 124220278

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