(phenylmethyl) (2S,4S,5R,6R)-4,5-diacetyloxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxidanylidene-purin-1-yl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S,5R,6R)-4,5-diacetyloxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxidanylidene-purin-1-yl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: benzyl (2S,4S,5R,6R)-4,5-diacetoxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetoxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-purin-1-yl]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-4,5-diacetyloxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-1-purinyl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5R,6R)-4,5-diacetyloxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-4,5-diacetoxy-2-[9-[(2R,3R,4R,5R)-3,4-diacetoxy-5-methylol-tetrahydrofuran-2-yl]-6-keto-purin-1-yl]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C40H46N4O20 MolecularWeight: 902.80804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OCC2=CC=CC=C2)N3C=NC4=C(C3=O)N=CN4C5C(C(C(O5)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(=O)OCC2=CC=CC=C2)N3C=NC4=C(C3=O)N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H46N4O20/c1-19(46)55-16-29(58-21(3)48)33(61-24(6)51)34-31(59-22(4)49)27(57-20(2)47)13-40(64-34,39(54)56-15-26-11-9-8-10-12-26)44-18-42-36-30(37(44)53)41-17-43(36)38-35(62-25(7)52)32(60-23(5)50)28(14-45)63-38/h8-12,17-18,27-29,31-35,38,45H,13-16H2,1-7H3/t27-,28+,29+,31+,32+,33-,34+,35+,38+,40-/m0/s1