5'-dbb-dtgggaspg-3'

Structural Information

Molecular Formula

C₈₀H₉₀N₂₇O₃₅P₅S

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COCC3=CC(=C(C=C3)OC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C80H90N27O35P5S/c1-36-21-102(80(114)101-71(36)109)55-16-43(49(133-55)24-124-22-38-12-13-41(131-39-10-6-3-7-11-39)42(14-38)125-23-37-8-4-2-5-9-37)138-143(115,116)126-26-50-44(17-57(134-50)105-33-90-62-68(105)94-77(83)98-73(62)111)139-144(117,118)127-27-51-45(18-58(135-51)106-34-91-63-69(106)95-78(84)99-74(63)112)140-145(119,120)128-28-52-46(19-59(136-52)107-35-92-64-70(107)96-79(85)100-75(64)113)141-146(121,122)129-29-53-47(20-56(137-53)103-31-88-60-65(81)86-30-87-66(60)103)142-147(123,148)130-25-48-40(108)15-54(132-48)104-32-89-61-67(104)93-76(82)97-72(61)110/h2-14,21,30-35,40,43-59,108H,15-20,22-29H2,1H3,(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,148)(H2,81,86,87)(H,101,109,114)(H3,82,93,97,110)(H3,83,94,98,111)(H3,84,95,99,112)(H3,85,96,100,113)

InChIKey

OXMCVZCGAMTYEI-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(4-phenoxy-3-phenylmethoxyphenyl)methoxymethyl]oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16197631