M8M

5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine

Created:	2008-07-31
Last modified:	2024-09-27

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1 entries where M8M is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	4
Bond Count	50
Aromatic Bond Count	10

2D diagram of M8M

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Chemical Component Summary
Name	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(6-amino-8-methyl-purin-9-yl)-5-[(2-aminooxyethyl-methyl-amino)methyl]oxolane-3,4-diol
Formula	C₁₄ H₂₃ N₇ O₄
Molecular Weight	353.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN(CCON)C)N
SMILES	CACTVS	3.341	CN(CCON)C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CCON)O)O)N
Canonical SMILES	CACTVS	3.341	CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(C)nc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N
InChI	InChI	1.03	InChI=1S/C14H23N7O4/c1-7-19-9-12(15)17-6-18-13(9)21(7)14-11(23)10(22)8(25-14)5-20(2)3-4-24-16/h6,8,10-11,14,22-23H,3-5,16H2,1-2H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
InChIKey	InChI	1.03	MIGFZONTOHGZMB-IDTAVKCVSA-N

Related Resource References

Resource Name	Reference
PubChem	25181314
ChEMBL	CHEMBL1187584

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