1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(6-oxidanylhexoxyphosphonoyloxymethyl)oxolan-3-yl]oxyphosphonoyloxymethyl]oxolan-3-yl]oxyphosphonoyloxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxyphosphonoyloxymethyl]-4-(6-oxidanylhexoxyphosphonoyloxy)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(6-oxidanylhexoxyphosphonoyloxymethyl)oxolan-3-yl]oxyphosphonoyloxymethyl]oxolan-3-yl]oxyphosphonoyloxymethyl]-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl]oxyphosphonoyloxymethyl]-4-(6-oxidanylhexoxyphosphonoyloxy)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(6-hydroxyhexoxyphosphonoyloxymethyl)tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]-4-(6-hydroxyhexoxyphosphonoyloxy)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(6-hydroxyhexoxyphosphonoyloxymethyl)-3-oxolanyl]oxyphosphonoyloxymethyl]-5-(6-aminopurin-9-yl)-3-oxolanyl]oxyphosphonoyloxymethyl]-3-oxolanyl]oxyphosphonoyloxymethyl]-4-(6-hydroxyhexoxyphosphonoyloxy)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(6-hydroxyhexoxyphosphonoyloxymethyl)oxolan-3-yl]oxyphosphonoyloxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxyphosphonoyloxymethyl]oxolan-3-yl]oxyphosphonoyloxymethyl]-4-(6-hydroxyhexoxyphosphonoyloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(2R,3S,5R)-5-adenin-9-yl-2-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-(6-hydroxyhexoxyphosphonoyloxymethyl)tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-3-yl]oxyphosphonoyloxymethyl]-4-(6-hydroxyhexoxyphosphonoyloxy)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C51H76N15O25P5 MolecularWeight: 1454.103445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)OC3CC(OC3COP(=O)OC4CC(OC4COP(=O)OC5CC(OC5COP(=O)OCCCCCCO)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)OP(=O)OCCCCCCO

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)OCCCCCCO)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)OP(=O)OCCCCCCO

InChI

InChI=1S/C51H76N15O25P5/c1-28-20-64(51(72)62-47(28)69)39-17-30(88-93(74)79-15-9-5-3-7-13-68)34(85-39)22-81-95(76)91-32-19-41(66-27-58-43-46(66)60-49(54)61-48(43)70)87-36(32)24-83-96(77)90-31-18-40(65-26-57-42-44(53)55-25-56-45(42)65)86-35(31)23-82-94(75)89-29-16-38(63-11-10-37(52)59-50(63)71)84-33(29)21-80-92(73)78-14-8-4-2-6-12-67/h10-11,20,25-27,29-36,38-41,67-68,92-96H,2-9,12-19,21-24H2,1H3,(H2,52,59,71)(H2,53,55,56)(H,62,69,72)(H3,54,60,61,70)/t29-,30-,31-,32-,33+,34+,35+,36+,38+,39+,40+,41+/m0/s1