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

Systemtic Name: 1-azanyl-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]amino]anthracene-9,10-dione Openeye Name: 1-amino-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]amino]anthracene-9,10-dione CAS Name: 1-amino-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]amino]anthracene-9,10-dione IUPAC Name: 1-amino-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]amino]anthracene-9,10-dione Traditional Name: 1-amino-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl]amino]-9,10-anthraquinone Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C(C1O)O)NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)CO

Isomeric SMILES

CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)CO

InChI

InChI=1S/C21H22N2O7/c1-29-20-13(8-24)30-21(19(28)18(20)27)23-12-7-6-11-14(15(12)22)17(26)10-5-3-2-4-9(10)16(11)25/h2-7,13,18-21,23-24,27-28H,8,22H2,1H3/t13-,18-,19-,20-,21-/m1/s1