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
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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
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CAS No:
72067-15-3
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Formula:
C22H29N5O10
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Chemical Name:
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
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Synonyms:
72067-15-3;DTXSID60992795;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)undec-7-ulopyranosefuranosyluronosyl]-9H-purin-6-amine
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CAS No:
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 Basic Attributes
523.5 g/mol
523.19144214 g/mol
Computed Properties
Molecular Weight:523.5
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:523.19144214
Monoisotopic Mass:523.19144214
Topological Polar Surface Area:200
Heavy Atom Count:37
Complexity:883
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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