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[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-1-[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]-3-[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]propan-2-yl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl]-3-phosphonooxy-oxolan-3-yl]m

[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-1-[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]-3-[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]propan-2-yl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl]-3-phosphonooxy-oxolan-3-yl]m

Systemtic Name:[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-1-[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]-3-[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]propan-2-yl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl]-3-phosphonooxy-oxolan-3-yl]m
Openeye Name:[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[2-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl]-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl]-3-phosphonooxy-tetrahydrofuran-2-yl]-3-[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]propyl]tetrahydrofuran-3-yl]
CAS Name:[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy]-1-[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxy-2-oxolanyl]-3-[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-phosphonooxy-2-oxolanyl]propan-2-yl]-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-phosphonooxy-2-oxolanyl]methyl]-3-phosphonooxy-3-oxolanyl]methyl]-3-oxolanyl] dihydrogen phosphate
IUPAC Name:[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(2R,3S,5R)-2-[2-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-1-[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]-3-[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]propan-2-yl]-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl]-3-phosphonooxyoxolan-3-yl]methyl]oxolan-3-yl] dihydrogen phosphate
Traditional Name:[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-[2-[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl]-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl]-3-phosphonooxy-tetrahydrofuran-2-yl]-3-[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]propyl]tetrahydrofuran
Formula: C57H73N24O34P5
MolecularWeight: 1793.198725
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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COC(CC4C(CC(O4)N5C=CC(=NC5=O)N)OP(=O)(O)O)(CC6C(CC(O6)N7C=NC8=C7NC(=NC8=O)N)OP(=O)(O)O)C9(C(CC(O9)N1C=CC(=NC1=O)N)(CC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)OP(=O)(O)O)OP(=O)(O)O)CC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)O)O


Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COC(C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)OP(=O)(O)O)(C[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)OP(=O)(O)O)[C@@]9([C@@](C[C@@H](O9)N1C=CC(=NC1=O)N)(C[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1NC(=NC2=O)N)OP(=O)(O)O)OP(=O)(O)O)C[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)O)O


InChI

InChI=1S/C57H73N24O34P5/c58-31-1-4-76(52(86)67-31)35-8-22(111-116(89,90)91)26(105-35)12-55(104-17-30-21(82)7-34(109-30)79-18-64-40-43(79)70-49(61)73-46(40)83,13-27-23(112-117(92,93)94)10-37(106-27)80-19-65-41-44(80)71-50(62)74-47(41)84)57(15-29-25(114-119(98,99)100)9-36(108-29)77-5-2-32(59)68-53(77)87)56(115-120(101,102)103,16-39(110-57)78-6-3-33(60)69-54(78)88)14-28-24(113-118(95,96)97)11-38(107-28)81-20-66-42-45(81)72-51(63)75-48(42)85/h1-6,18-30,34-39,82H,7-17H2,(H2,58,67,86)(H2,59,68,87)(H2,60,69,88)(H2


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