AC1L4FUO

methyl (1R,3S,4R,5R,7R,9S,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-4-methoxy-13-(2-methylpropanoyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

Also Known As: D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-2-O-methyl-, methyl ester, 8-(2-methylpropanoate), (7R)-|9-[6,10-anhydro-5-deoxy-11-methyl-2-O-methyl-8-O-(2-methylpropanoyl)-beta-D-arabino-beta-D-gluco-undec-7-ulopyranosefuranosyluronosyl]-9H-purin-6-amine|9-[6,10-Anhydro-5-deoxy-11-methyl-2-O-methyl-8-O-(2-methylpropanoyl)undec-7-ulopyranosefuranosyluronosyl]-9H-purin-6-amine

Molecular Formula	C22H29N5O10
Molecular Weight	523.19147 g/mol
LogP	-0.7
Topological Polar Surface Area	200.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	523.19147
Monoisotopic Mass	523.19147
Heavy Atoms	37
Complexity	883.0

Chemical Identifiers

CAS Number	72067-15-3
SMILES	CC(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3OC)N4C=NC5=C(N=CN=C54)N)O)C(=O)OC)O
InChIKey	DIGRAKJXHSMXBZ-ODQFKESJSA-N