2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose（CAS番号：38864-21-0）

2-アクエタミド-2-デオキシ-β-D-グルコピラノースyl-(1->4)-2-アクエタミド-2-デオキシ-β-D-グルコピラノースyl-(1->4)-2-アクエタミド-2-デオキシ-D-グルコース

基本情報

編集器で閲覧

CAS番号

38864-21-0

分子式

C24H41N3O16

分子量

627.6 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アルデヒド類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

White to Pale Beige

融点

271-272°C dec.

沸点

1146.9±65.0 °C(Predicted)

密度

1.54±0.1 g/cm3(Predicted)

引火点

647.4±34.3 °C

溶解度

H2O: 50 mg/mL, clear to slightly hazy, colorless to faintly yellow

屈折率

1.619

SMILES

編集器で閲覧

CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)O)O

InChI

InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1

InChIKey

LRDDKCYRFNJZBX-WHFMPQCRSA-N

LogP

-4.778099999999987

pKa

12.72±0.70(Predicted)

トポロジカル極性表面積

313.6 Å²

水素結合ドナー/アクセプター

11 / 19

複雑度

944

安全情報

安全情報を表示

感度

thermally sensitive

同義語と引用データ

英語

tri-n-acetylchitotriose
N,N',N''-triacetyl-chitotriose
38864-21-0
DTXSID20959642
N-Acetylchitotriose
N,N',N''-triacetylchitotriose
CHEBI:184133
2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexose
N,N',N''-Triacetylchitotriose, >=93% (HPLC)
AKOS040758106
Tris(N-acetylglucosamine)
NS00123278
W-202609
O-2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyran osyl-(1-4)-2-(acetylamino)-2-deoxy-D-glucose
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
MFCD00136047
Chitotriose triacetate
N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Triacetylchitotriose
N,N',N''-Triacetyl chitotriose
O-[2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1-->4)]-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-->4)]-2-acetamido-2-deoxy-D-glucopyranose
Tri(N-acetyl-D-glucosamine)
HY-135072
tri-N-acetyl-chitotriose
N,N',N''-Triacetylchitintriose
N,N',N''-Triacetylchitotriose, ~95% (HPLC)
CS-0109258
N-((2S,3R,4R,5S,6R)-2-(((2R,3S,4R,5R)-5-Acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
N-((2S,3R,4R,5S,6R)-2-((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yloxy)-5-((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
O-2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-acetamido-2-deoxy-D-glucopyranose
(G1cNAC)3