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

Systemtic Name: 2-[[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione Openeye Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]anthracene-9,10-dione CAS Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]anthracene-9,10-dione IUPAC Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione Traditional Name: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-9,10-anthraquinone Formula: C21H21NO7 MolecularWeight: 399.39394

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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

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

InChI

InChI=1S/C21H21NO7/c22-16-20(27)19(26)15(8-23)29-21(16)28-9-10-5-6-13-14(7-10)18(25)12-4-2-1-3-11(12)17(13)24/h1-7,15-16,19-21,23,26-27H,8-9,22H2/t15-,16-,19-,20-,21-/m1/s1