(7S,9S)-7-[(2R,3R,4R,5S,6S)-4-azanyl-3-fluoranyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Systemtic Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-azanyl-3-fluoranyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-7-[[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-4-amino-3-fluoro-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C27H29ClFNO11 MolecularWeight: 597.970663

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)F)N)O.Cl

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)F)N)O.Cl

InChI

InChI=1S/C27H28FNO11.ClH/c1-9-21(32)20(29)19(28)26(39-9)40-13-7-27(37,14(31)8-30)6-11-16(13)25(36)18-17(23(11)34)22(33)10-4-3-5-12(38-2)15(10)24(18)35;/h3-5,9,13,19-21,26,30,32,34,36-37H,6-8,29H2,1-2H3;1H/t9-,13-,19+,20-,21+,26-,27-;/m0./s1