Adenophostin B

Molecular Formula: C18H28N5O19P3


InChI: InChI=1/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1/f/h27-28,30-31,33-34H,19H2

InChIKey: InChIKey=ZYMMXLQDBUGSID-ZKNUVMIXDG
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OP(=O)(O)O)N3C=NC4=C3N=CN=C4N)CO)O)OP(=O)(O)O)OP(=O)(O)O

Names:
    Adenophostin B
    C13722
    149091-93-0
    [(2R,3R,4R,5R)-4-[(2R,3R,4R,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-diphosphonooxy-oxan-2-yl]oxy-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 656722
    PubChem ID 586311