[[(2R,3R,5R)-5-[6-azanyl-8-(6-azanylhexylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3R,5R)-5-[6-azanyl-8-(6-azanylhexylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3R,5R)-5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl hydrogen phosphate CAS Name: [[(2R,3R,5R)-5-[6-amino-8-(6-aminohexylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S)-3,4-dihydroxy-2-pyrrolidinyl]methyl hydrogen phosphate IUPAC Name: [[(2R,3R,5R)-5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl hydrogen phosphate Traditional Name: [[(2R,3R,5R)-5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methyl hydrogen phosphate Formula: C21H38N8O12P2 MolecularWeight: 656.520342

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCCCCCCN)O)O)O)O

Isomeric SMILES

C1C([C@H]([C@H](N1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3NCCCCCCN)O)O)O)O

InChI

InChI=1S/C21H38N8O12P2/c22-5-3-1-2-4-6-24-21-28-14-18(23)26-10-27-19(14)29(21)20-17(33)16(32)13(40-20)9-39-43(36,37)41-42(34,35)38-8-11-15(31)12(30)7-25-11/h10-13,15-17,20,25,30-33H,1-9,22H2,(H,24,28)(H,34,35)(H,36,37)(H2,23,26,27)/t11-,12?,13-,15+,16+,17?,20-/m1/s1