Products 1011457-95-6

CAS 1011457-95-6 is the registry number for 8-Br-7-CH-ADPR. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

[[(2R,3S,4R,5R)-5-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate (CAS 1011457-95-6) is a chemical compound with the molecular formula C16H23BrN4O14P2 and a molecular weight of 637.2 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate. InChIKey: JCGPNLBDWLHMNJ-XKGWIJJCSA-N.

Identity
Molecular formulaC16H23BrN4O14P2
Molecular weight637.2 g/mol
IUPAC name[[(2R,3S,4R,5R)-5-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
InChIKeyJCGPNLBDWLHMNJ-XKGWIJJCSA-N
SMILESC1=C(N(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](C=O)O)O)O)O)O)Br

Computed by PubChem (NCBI)

Synonyms: orb2664413