S-(4-NITROBENZYL)-6-THIOINOSINE

CAS No.
38048-32-7
CCD No.
CCD00005502
Formula
C17 H17 N5 O6 S
MolWeight
419.416

Basic Information

Product Name: S-(4-NITROBENZYL)-6-THIOINOSINE
CAS: 38048-32-7
English Synonyms: 6-S-[(4-NITROPHENYL)METHYL]-6-THIOINOSINE ; NBMPR ; S-(4-NITROBENZYL)-6-THIOINOSINE ; NBTI ; S-(P-NITROBENZYL)-6-MERCAPTO ; D-S-(4-NITROBENZYL)-6-THIOINOSINE ; 6-[(4-NITROBENZYL)THIO]-9-BETA-D-RIBOFURANOSYLPURINE ; S-(P-NITROBENZYL)-6-THIOINOSINE
MDL Number.: MFCD00005745
H bond acceptor: 11
H bond donor: 3
Smile: c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-]
InChi: InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
InChiKey: InChIKey=DYCJFJRCWPVDHY-LSCFUAHRSA-N

Property

Safety information

WGK Germany: 3

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