Chem
J-GLOBAL ID：200907035408996889   Nikkaji number：J1.185.580F

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-dihexadecanoyl-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-ジヘキサデカノイル-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： C105H153N2[N-][N+]O23P
Molecular formula furigana： C105-H153-N4-O23-P
Molecular weight： 1870.358
InChI： InChI=1S/C105H153N4O23P/c1-6-8-10-12-14-16-18-20-22-24-26-28-47-63-86(110)116-75-83(122-87(111)64-48-29-27-25-23-21-19-17-15-13-11-9-7-2)76-121-133(113,114)132-98-93(94-95(128-104(127-94)65-49-35-50-66-104)96-97(98)130-105(129-96)67-51-36-52-68-105)126-100-88(108-102(112)131-103(3,4)5)91(118-72-80-57-41-32-42-58-80)90(84(123-100)69-107-109-106)125-101-99(120-74-82-61-45-34-46-62-82)92(119-73-81-59-43-33-44-60-81)89(117-71-79-55-39-31-40-56-79)85(124-101)77-115-70-78-53-37-30-38-54-78/h30-34,37-46,53-62,83-85,88-101H,6-29,35-36,47-52,63-77H2,1-5H3,(H,108,112)(H,113,114)/t83-,84-,85-,88-,89-,90-,91-,92+,93-,94-,95+,96-,97-,98+,99+,100-,101-/m1/s1
InChI key： OXQPMRUZVUMMLB-CMSCTKIJSA-N
SMILES： CCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC
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-ジヘキサデカノイル-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(ヘキサデカノイルオキシ)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(hexadecanoyloxy)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-dihexadecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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