peroxy Y nucleoside

methyl 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]-3-hydroperoxy-2-(methoxycarbonylamino)butanoate

Also Known As: Peroxy Y nucleoside|J1.893.374H|methyl 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]-3-hydroperoxy-2-(methoxycarbonylamino)butanoate|3H-Imidazo(1,2-a)purine-7-butanoic acid, 4,9-dihydro-beta-hydroperoxy-alpha-((methoxycarbonyl)amino)-4,6-dimethyl-9-oxo-3-beta-D-ribofuranosyl-, methyl ester|2-(Methoxycarbonylamino)-3-hydroperoxy-4-[3-(beta-D-ribofuranosyl)-4,6-dimethyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purine-7-yl]butyric acid methyl ester|7-(2-Hydroperoxy-3-{[hydroxy(methoxy)methylidene]amino}-4-methoxy-4-oxobutyl)-4,6-dimethyl-3-beta-D-ribofuranosyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one|7-(2-Hydroperoxy-3-{[hydroxy(methoxy)methylidene]amino}-4-methoxy-4-oxobutyl)-4,6-dimethyl-3-pentofuranosyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one|methyl 4-{3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxo-3H,4H,9H-imidazo[1,2-a]purin-7-yl}-3-hydroperoxy-2-[(methoxycarbonyl)amino]butanoate

Molecular Formula	C21H28N6O11
Molecular Weight	540.1816 g/mol
LogP	-1.4
Topological Polar Surface Area	220.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	540.1816
Monoisotopic Mass	540.1816
Heavy Atoms	38
Complexity	900.0

Chemical Identifiers

CAS Number	78355-49-4
SMILES	CC1=C(N2C(=O)C3=C(N(C2=N1)C)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)CC(C(C(=O)OC)NC(=O)OC)OO
InChIKey	WCNMEQDMUYVWMJ-HSRLSWODSA-N