Chem
J-GLOBAL ID：200907052898220010   Nikkaji number：J2.091.878K

5,10,15,20-Tetrakis[4-(β-D-galactopyranosylthio)-2,3,5,6-tetrafluorophenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[4-(β-D-ガラクトピラノシルチオ)-2,3,5,6-テトラフルオロフェニル]-21H,23H-ポルフィリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C68H54F16N4O20S4
Molecular formula furigana： C68-H54-F16-N4-O20-S4
Molecular weight： 1679.400
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/h1-8,21-24,49-60,65-68,85,88-104H,9-12H2/b25-13+,25-15+,26-14+,26-16+,27-17+,27-19+,28-18+,28-20+/t21-,22-,23-,24-,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,65+,66+,67+,68+/m1/s1
InChI key： ABUAFLVNKFBVLW-SPJDOUPHSA-N
SMILES： OC[C@H]1O[C@@H](Sc2c(F)c(F)c(c(F)c2F)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c2F)[nH]5)/c2c(F)c(F)c(S[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(F)c2F)/C=C4)\c2c(F)c(F)c(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(F)c2F)/[nH]3)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • 5,10,15,20-テトラキス[4-(β-D-ガラクトピラノシルチオ)-2,3,5,6-テトラフルオロフェニル]-21H,23H-ポルフィリン
  • 21H,23H-ポルフィリン-5,10,15,20-テトライルテトラキス(2,3,5,6-テトラフルオロ-4,1-フェニレン)テトラキス(1-チオ-β-D-ガラクトピラノシド)
  • (2R,3R,4S,5R,6S)-2-(ヒドロキシメチル)-6-({2,3,5,6-テトラフルオロ-4-[7,12,17-トリス(2,3,5,6-テトラフルオロ-4-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]スルファニル}フェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}スルファニル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-({2,3,5,6-tetrafluoro-4-[7,12,17-tris(2,3,5,6-tetrafluoro-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}sulfanyl)oxane-3,4,5-triol
Other name (2)：
  • 5,10,15,20-Tetrakis[4-(β-D-galactopyranosylthio)-2,3,5,6-tetrafluorophenyl]-21H,23H-porphyrin
  • 21H,23H-Porphyrin-5,10,15,20-tetrayltetrakis(2,3,5,6-tetrafluoro-4,1-phenylene)tetrakis(1-thio-β-D-galactopyranoside)
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