5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
structure -
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CAS No:
152918-27-9
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Formula:
C18H21N7O4
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Chemical Name:
5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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Synonyms:
AB-MECA;N(6)-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide;AB-MECA;BCP16462;L000703
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CAS No:
5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Basic Attributes
399.4 g/mol
399.16550218 g/mol
DTXSID70415501
Computed Properties
Molecular Weight:399.4
XLogP3:-0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:399.16550218
Monoisotopic Mass:399.16550218
Topological Polar Surface Area:160
Heavy Atom Count:29
Complexity:576
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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