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

Systemtic Name: 2-[[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-1-oxidanyl-anthracene-9,10-dione Openeye Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-1-hydroxy-anthracene-9,10-dione CAS Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-hydroxyanthracene-9,10-dione IUPAC Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxyanthracene-9,10-dione Traditional Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-1-hydroxy-9,10-anthraquinone Formula: C21H21NO8 MolecularWeight: 415.39334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)COC4C(C(C(C(O4)CO)O)O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)O

InChI

InChI=1S/C21H21NO8/c22-15-20(28)19(27)13(7-23)30-21(15)29-8-9-5-6-12-14(16(9)24)18(26)11-4-2-1-3-10(11)17(12)25/h1-6,13,15,19-21,23-24,27-28H,7-8,22H2/t13-,15-,19-,20-,21-/m1/s1