9-Dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1

cas: 64585-66-6 — see every product listed under this CAS number, including other names

9-Dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 (CAS 64585-66-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-D453993-1MG
cas64585-66-6
size1mg
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purityNo data
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Structural formula: {0} (CAS {1})

5-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-9-ium-7-yl]-4-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione (CAS 64585-66-6) is a chemical compound with the molecular formula C27H26N5O11+ and a molecular weight of 596.5 g/mol. IUPAC name: 5-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-9-ium-7-yl]-4-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione. InChIKey: DNDKBFUXFQDLPN-GFQVOXOCSA-O.

Identity
Molecular formulaC27H26N5O11+
Molecular weight596.5 g/mol
IUPAC name5-[2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-9-ium-7-yl]-4-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
InChIKeyDNDKBFUXFQDLPN-GFQVOXOCSA-O
SMILESCOC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)N6C=[N+](C7=C6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)CO)O)O

Computed by PubChem (NCBI)

Synonyms: 9-Dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1