(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris[2,3,5,6-tetrakis(fluoranyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]sulfanyl-oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2,3,5,6-tetrakis(fluoranyl)-4-[10,15,20-tris[2,3,5,6-tetrakis(fluoranyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]sulfanyl-oxane-3,4,5-triol Openeye Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]sulfanyl-tetrahydropyran-3,4,5-triol CAS Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]thio]oxane-3,4,5-triol IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]-21,24-dihydroporphyrin-5-yl]phenyl]sulfanyloxane-3,4,5-triol Traditional Name: (2R,3S,4S,5R,6S)-2-methylol-6-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]phenyl]-21,24-dihydroporphin-5-yl]phenyl]thio]tetrahydropyran-3,4,5-triol Formula: C68H54F16N4O20S4 MolecularWeight: 1679.405611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)SC7C(C(C(C(O7)CO)O)O)O)F)F)C8=C(C(=C(C(=C8F)F)SC9C(C(C(C(O9)CO)O)O)O)F)F)C1=C(C(=C(C(=C1F)F)SC1C(C(C(C(O1)CO)O)O)O)F)F)C1=C(C(=C(C(=C1F)F)SC1C(C(C(C(O1)CO)O)O)O)F)F

Isomeric SMILES

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)S[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)F)F)C8=C(C(=C(C(=C8F)F)S[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)F)F)C1=C(C(=C(C(=C1F)F)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)F)F)C1=C(C(=C(C(=C1F)F)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)F)F

InChI

InChI=1S/C68H54F16N4O20S4/c69-33-29(34(70)42(78)61(41(33)77)109-65-57(101)53(97)49(93)21(9-89)105-65)25-13-1-2-14(85-13)26(30-35(71)43(79)62(44(80)36(30)72)110-66-58(102)54(98)50(94)22(10-90)106-66)16-5-6-18(87-16)28(32-39(75)47(83)64(48(84)40(32)76)112-68-60(104)56(100)52(96)24(12-92)108-68)20-8-7-19(88-20)27(17-4-3-15(25)86-17)31-37(73)45(81)63(46(82)38(31)74)111-67-59(103)55(99)51(95)23(11-91)107-67/h1-8,21-24,49-60,65-68,85-86,89-104H,9-12H2/t21-,22-,23-,24-,49-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,65+,66+,67+,68+/m1/s1