Tggggt, phosphorothioate

Structural Information

Molecular Formula

C₆₀H₇₅N₂₄O₃₁P₅S₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7CO)N8C=C(C(=O)NC8=O)C)N9C=NC1=C9N=C(NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C60H75N24O31P5S5/c1-21-9-79(59(93)77-49(21)87)35-3-23(86)30(106-35)12-100-116(95,121)112-25-5-37(81-17-65-41-45(81)69-55(61)73-51(41)89)108-32(25)14-102-118(97,123)114-27-7-39(83-19-67-43-47(83)71-57(63)75-53(43)91)110-34(27)16-104-120(99,125)115-28-8-40(84-20-68-44-48(84)72-58(64)76-54(44)92)109-33(28)15-103-119(98,124)113-26-6-38(82-18-66-42-46(82)70-56(62)74-52(42)90)107-31(26)13-101-117(96,122)111-24-4-36(105-29(24)11-85)80-10-22(2)50(88)78-60(80)94/h9-10,17-20,23-40,85-86H,3-8,11-16H2,1-2H3,(H,95,121)(H,96,122)(H,97,123)(H,98,124)(H,99,125)(H,77,87,93)(H,78,88,94)(H3,61,69,73,89)(H3,62,70,74,90)(H3,63,71,75,91)(H3,64,72,76,92)

InChIKey

NSDAIFPCPWIYMF-UHFFFAOYSA-N

Compound name

1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 135542176