Chem
J-GLOBAL ID:200907011548323276
Nikkaji number:J2.205.979C
2-[5-(Acetylthio)pentylthio]-4-O,7-O,8-O,9-O,N-pentaacetyl-2-deoxy-α-neuraminic acid methyl ester
2-[5-(アセチルチオ)ペンチルチオ]-4-O,7-O,8-O,9-O,N-ペンタアセチル-2-デオキシ-α-ノイラミン酸メチル
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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:
C27 H41 NO13 S2
Molecular formula furigana:
C27-H41-N-O13-S2
Molecular weight:
651.740
InChI:
InChI=1S/C27H41NO13S2/c1-15(29)28-23-21(38-17(3)31)13-27(26(35)36-7,43-12-10-8-9-11-42-20(6)34)41-25(23)24(40-19(5)33)22(39-18(4)32)14-37-16(2)30/h21-25H,8-14H2,1-7H3,(H,28,29)/t21-,22+,23+,24+,25+,27-/m0/s1
InChI key:
IOUGJENYOVIDKP-NFIQMXJASA-N
SMILES:
COC(=O)[C@]1(C[C@H](OC(=O)C)[C@@H](NC(=O)C)[C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)SCCCCCSC(=O)C
Systematic name (4):
2-[5-(アセチルチオ)ペンチルチオ]-4-O,7-O,8-O,9-O,N-ペンタアセチル-2-デオキシ-α-ノイラミン酸メチル
2-[5-(アセチルチオ)ペンチルチオ]-N,4-O,7-O,8-O,9-O-ペンタアセチル-2-デオキシ-α-ノイラミン酸メチル
メチル (2S,4S,5R,6R)-4-(アセチルオキシ)-2-{[5-(アセチルスルファニル)ペンチル]スルファニル}-5-アセトアミド-6-[(1S,2R)-1,2,3-トリス(アセチルオキシ)プロピル]オキサン-2-カルボキシラート
methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-{[5-(acetylsulfanyl)pentyl]sulfanyl}-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (2):
2-[5-(Acetylthio)pentylthio]-4-O,7-O,8-O,9-O,N-pentaacetyl-2-deoxy-α-neuraminic acid methyl ester
2-[5-(Acetylthio)pentylthio]-N,4-O,7-O,8-O,9-O-pentaacetyl-2-deoxy-α-neuraminic acid methyl ester
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