Chem
J-GLOBAL ID：200907029444936159   Nikkaji number：J1.185.581D

6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-6-azido-2-(tert-butoxycarbonylamino)-3-O-benzyl-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-ditetradecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

6-O-[4-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-6-アジド-2-(tert-ブトキシカルボニルアミノ)-3-O-ベンジル-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
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： C101H145N2[N-][N+]O23P
Molecular formula furigana： C101-H145-N4-O23-P
Molecular weight： 1814.250
InChI： InChI=1S/C101H145N4O23P/c1-6-8-10-12-14-16-18-20-22-24-43-59-82(106)112-71-79(118-83(107)60-44-25-23-21-19-17-15-13-11-9-7-2)72-117-129(109,110)128-94-89(90-91(124-100(123-90)61-45-31-46-62-100)92-93(94)126-101(125-92)63-47-32-48-64-101)122-96-84(104-98(108)127-99(3,4)5)87(114-68-76-53-37-28-38-54-76)86(80(119-96)65-103-105-102)121-97-95(116-70-78-57-41-30-42-58-78)88(115-69-77-55-39-29-40-56-77)85(113-67-75-51-35-27-36-52-75)81(120-97)73-111-66-74-49-33-26-34-50-74/h26-30,33-42,49-58,79-81,84-97H,6-25,31-32,43-48,59-73H2,1-5H3,(H,104,108)(H,109,110)/t79-,80-,81-,84-,85-,86-,87-,88+,89-,90-,91+,92-,93-,94+,95+,96-,97-/m1/s1
InChI key： QRMZHNUQUIKTLB-YFSDPLDTSA-N
SMILES： CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCC
Systematic name  (3)：
  • 6-O-[4-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-6-アジド-2-(tert-ブトキシカルボニルアミノ)-3-O-ベンジル-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5R,6R)-6-(アジドメチル)-4-(ベンジルオキシ)-3-{[(tert-ブトキシ)カルボニル]アミノ}-5-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6]ドデカン-11',1''-シクロヘキサン]-7'-イルオキシ][(2R)-2,3-ビス(テトラデカノイルオキシ)プロポキシ]ホスフィン酸
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5R,6R)-6-(azidomethyl)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-7'-yloxy][(2R)-2,3-bis(tetradecanoyloxy)propoxy]phosphinic acid
Other name (1)：
  • 6-O-[4-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-6-azido-2-(tert-butoxycarbonylamino)-3-O-benzyl-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-ditetradecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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