(2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-5-iodanyl-6-methyl-oxan-2-yl]oxy-2-[1,2-bis(oxidanyl)ethyl]-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol

Systemtic Name: (2S,4S)-4-[(2R,4S,5S,6S)-4-azanyl-5-iodanyl-6-methyl-oxan-2-yl]oxy-2-[1,2-bis(oxidanyl)ethyl]-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol Openeye Name: (2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl]oxy-2-(1,2-dihydroxyethyl)-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol CAS Name: (2S,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyl-2-oxanyl]oxy]-2-(1,2-dihydroxyethyl)-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol IUPAC Name: (2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-2-(1,2-dihydroxyethyl)-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol Traditional Name: (2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl]oxy-2-(1,2-dihydroxyethyl)-7-methoxy-3,4-dihydro-1H-tetracene-2,5,6,11,12-pentol Formula: C27H32INO10 MolecularWeight: 657.44815

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(CO)O)O)N)I

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(CO)O)O)N)I

InChI

InChI=1S/C27H32INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,30-36H,6-9,29H2,1-2H3/t10-,13-,15-,16?,17-,22+,27-/m0/s1