Products 185971-89-5

CAS 185971-89-5 appears in our catalog under these names: Fluorescein Alkynylamino-ATP, Fluorescein alkynylamino-ATP - 1.0 mM solution. Offered by: TRC, Biosynth. Available pack sizes: 25mg, 25ug.

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

[[(2R,3R,4S,5R)-5-[4-amino-5-[3-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CAS 185971-89-5) is a chemical compound with the molecular formula C41H41N6O20P3 and a molecular weight of 1030.7 g/mol. IUPAC name: [[(2R,3R,4S,5R)-5-[4-amino-5-[3-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate. InChIKey: JKFIASPKHCGSRA-JLRXDUNCSA-N.

Identity
Molecular formulaC41H41N6O20P3
Molecular weight1030.7 g/mol
IUPAC name[[(2R,3R,4S,5R)-5-[4-amino-5-[3-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
InChIKeyJKFIASPKHCGSRA-JLRXDUNCSA-N
SMILESC1=CC2=C(C=C1C(=O)NCCCCCC(=O)NCC#CC3=CN(C4=NC=NC(=C34)N)[C@H]5[C@H]([C@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)OC26C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O

Computed by PubChem (NCBI)