8AH

5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine

Created:	2021-02-26
Last modified:	2021-12-15

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7 entries where 8AH is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	4
Bond Count	45
Aromatic Bond Count	10

2D diagram of 8AH

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Chemical Component Summary
Name	5'-O-(dihydroxyphosphanyl)-2,8-dimethyladenosine
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2,8-dimethyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₂ H₁₈ N₅ O₇ P
Molecular Weight	375.274
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC1OC(n2c(C)nc3c(N)nc(C)nc32)C(O)C1O
SMILES	CACTVS	3.385	Cc1nc(N)c2nc(C)n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c2c(n1)n(c(n2)C)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Canonical SMILES	CACTVS	3.385	Cc1nc(N)c2nc(C)n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI	InChI	1.03	InChI=1S/C12H18N5O7P/c1-4-14-10(13)7-11(15-4)17(5(2)16-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1
InChIKey	InChI	1.03	YUHKBTJEYBIOJY-WOUKDFQISA-N

Related Resource References

Resource Name	Reference
PubChem	162368311

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