3-[[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-[[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 3-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 3-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 3-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-1,8-dihydroxy-9,10-anthraquinone Formula: C21H21NO9 MolecularWeight: 431.39274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)COC4C(C(C(C(O4)CO)O)O)N)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)O

InChI

InChI=1S/C21H21NO9/c22-16-20(29)18(27)13(6-23)31-21(16)30-7-8-4-10-15(12(25)5-8)19(28)14-9(17(10)26)2-1-3-11(14)24/h1-5,13,16,18,20-21,23-25,27,29H,6-7,22H2/t13-,16-,18-,20-,21-/m1/s1