Chem
J-GLOBAL ID:200907075659830965
Nikkaji number:J2.357.762C
2-O-[1-(Phenylimino)-2,2,2-trifluoroethyl]-4-O,7-O,8-O,9-O-tetraacetyl-5-phthalimidyl-5-deamino-α-neuraminic acid methyl ester
2-O-[1-(フェニルイミノ)-2,2,2-トリフルオロエチル]-4-O,7-O,8-O,9-O-テトラアセチル-5-フタルイミジル-5-デアミノ-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:
C34 H33 F3 N2 O14
Molecular formula furigana:
C34-H33-F3-N2-O14
Molecular weight:
750.633
InChI:
InChI=1S/C34H33F3N2O14/c1-17(40)48-16-25(50-19(3)42)27(51-20(4)43)28-26(39-29(44)22-13-9-10-14-23(22)30(39)45)24(49-18(2)41)15-33(52-28,32(46)47-5)53-31(34(35,36)37)38-21-11-7-6-8-12-21/h6-14,24-28H,15-16H2,1-5H3/t24-,25+,26+,27+,28+,33-/m0/s1
InChI key:
GIOLOHNHMXVCBK-RIBVAUNZSA-N
SMILES:
COC(=O)[C@]1(C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)N1C(=O)c2ccccc2C1=O)OC(=Nc1ccccc1)C(F)(F)F
Systematic name (4):
2-O-(1-フェニルイミノ-2,2,2-トリフルオロエチル)-4-O,7-O,8-O,9-O-テトラアセチル-5-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)-3,5-ジデオキシ-α-D-glycero-D-galacto-2-ノヌロピラノソン酸メチル
2-O-[1-(フェニルイミノ)-2,2,2-トリフルオロエチル]-4-O,7-O,8-O,9-O-テトラアセチル-5-フタルイミジル-5-デアミノ-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)-5-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-2-[2,2,2-トリフルオロ-1-(フェニルイミノ)エトキシ]-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)-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-[2,2,2-trifluoro-1-(phenylimino)ethoxy]-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate
Other name (2):
2-O-(1-Phenylimino-2,2,2-trifluoroethyl)-4-O,7-O,8-O,9-O-tetraacetyl-5-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosonic acid methyl ester
2-O-[1-(Phenylimino)-2,2,2-trifluoroethyl]-4-O,7-O,8-O,9-O-tetraacetyl-5-phthalimidyl-5-deamino-α-neuraminic acid methyl ester
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