O-(5-Acetamido-3,5-didesoxyglycerogalacto-2-nonuloyranosyluronic)-(2-3)-O-galactoyranosyl-(1-3)-2-acetamido-2-desoxygalactopyranose
基本情報
- CAS
117773-04-3- 標準SMILES
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O- InChIKey
KMRCGPSUZRGVOV-TXYBRGFCSA-N- 分子式
- C25H42N2O19
- 平均分子量
- 674.6 g/mol
- 単同位体質量
- 674.23817711
概要
Adgggg is a member of carbohydrates and carbohydrate derivatives.
名称と識別子
- 優先名称
- O-(5-Acetamido-3,5-didesoxyglycerogalacto-2-nonuloyranosyluronic)-(2-3)-O-galactoyranosyl-(1-3)-2-acetamido-2-desoxygalactopyranose
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 英語名
- O-(5-acetamido-3,5-didesoxyglycerogalacto-2-nonuloyranosyluronic)-(2-3)-O-galactoyranosyl-(1-3)-2-acetamido-2-desoxygalactopyranose
- 分子式
- C25H42N2O19
- 分子量
- 674.60298
名称と別名
117773-04-3O-(5-Acetamido-3,5-didesoxyglycerogalacto-2-nonuloyranosyluronic)-(2-3)-O-galactoyranosyl-(1-3)-2-acetamido-2-desoxygalactopyranoseRefChem:167095GlyTouCan:G02684WRG02684WRAdgggg(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidSCHEMBL29392992DTXSID90922540CHEBI:156649NeuAc(a2-3)Gal(b1-3)b-GalNAcO-(5-acetamido-3,5-didesoxyglycerogalacto-2-nonuloyranosyluronic)-(2-3)-O-galactoyranosyl-(1-3)-2-ac
名称をさらに表示
β-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-
Hafnium(IV) bromide, anhydrous, 98% (99.7%-Hf)3,5-Dideoxy-5-[(1-hydroxyethylidene)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-galactopyranose3,5-Dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseN-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-RWURCS=2.0/3,3,2/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2
物性
構造計算による物性
- XLogP
- -6.7
- 極性表面積
- 344 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 19
- 回転可能結合数
- 12
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,050
物理化学的性質
- 沸点
- 1190.4 · 1190.4±65.0 °C(Predicted)
- 比重(密度)
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.92 · 1.92±0.70(Predicted)
関連反応
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