(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-oxidanyl-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol

Systemtic Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-oxidanyl-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol Openeye Name: (2R,3S,4S,5R,6R)-5-benzyloxy-2-(benzyloxymethyl)-6-[(2R,3S,4R,5R)-2-(benzyloxymethyl)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol CAS Name: (2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-9-purinyl]-4-hydroxy-2-(phenylmethoxymethyl)-3-oxolanyl]oxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol Traditional Name: (2R,3S,4S,5R,6R)-5-benzoxy-2-(benzoxymethyl)-6-[(2R,3S,4R,5R)-2-(benzoxymethyl)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol Formula: C42H49N5O9 MolecularWeight: 767.86656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COCC5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)O)O)OCC8=CC=CC=C8)O

Isomeric SMILES

C1CCC(C1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)O)O)OCC8=CC=CC=C8)O

InChI

InChI=1S/C42H49N5O9/c48-34-31(23-51-20-27-12-4-1-5-13-27)55-42(38(35(34)49)53-22-29-16-8-3-9-17-29)56-37-32(24-52-21-28-14-6-2-7-15-28)54-41(36(37)50)47-26-45-33-39(43-25-44-40(33)47)46-30-18-10-11-19-30/h1-9,12-17,25-26,30-32,34-38,41-42,48-50H,10-11,18-24H2,(H,43,44,46)/t31-,32-,34-,35+,36-,37-,38-,41-,42-/m1/s1