9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: 9-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid Traditional Name: 9-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]-3H-purin-6-one; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C30H32N4O12 MolecularWeight: 640.59468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)N2C=NC3=C2NC=NC3=O.C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O.C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O

InChI

InChI=1S/C20H20O9.C10H12N4O3/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27;15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h1-9,15-18,20-25H,(H,26,27);4-7,15H,1-3H2,(H,11,12,16)/b2-1+;/t15-,16-,17+,18-,20+;6-,7+/m00/s1