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N,N-双乙酰壳二糖 | 186765-90-2

N,N-双乙酰壳二糖结构式图片|186765-90-2结构式图片
N,N-双乙酰壳二糖
D-Glucopyranose,2-(acetylamino)-2-deoxy-4-O-b-D-mannopyranosyl-
186765-90-2
C14H25NO11
383.35
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N,N-双乙酰壳二糖结构式
71297235
名称和标识符
InChIKey KFEUJDWYNGMDBV-KTNASFDVSA-N
Inchi InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13?,14+/m1/s1
SMILES OC[C@@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)[C@@H](NC(C)=O)C(O)O1
别名信息
- 中文别名 -
  • 2-(乙酰氨基)-2-脱氧-4-O-BETA-D-甘露糖基-D-吡喃葡萄糖
  • N,N-双乙酰壳二糖
  • 2-(乙酰氨基)-2-脱氧-4-O-beta-D-甘露糖基-D-吡喃葡萄糖
- 英文别名 -
  • D-Glucopyranose,2-(acetylamino)-2-deoxy-4-O-b-D-mannopyranosyl-
  • MANB1-4GLCNAC
  • 2-acetamido-2-deoxy-3,4,6-tri-O-benzyl-D-glucopyranose
  • 2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-D-glucopyranose
  • 2-N-Acetylamino-3,4,6-tri-O-benzyl-2-deo
  • AC1L7N5A
  • AG-F-48331
  • AGN-PC-00FNN0
  • CTK4I5166
  • N-((3R,4R,5S,6R)-4,5-bis(benzyloxy)-6-(benzyloxymethyl)-2-hydroxy-tetrahydro-2H-pyran-3-yl)acetamide
  • N-[(3R,4R,5S,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
  • N-ACETYL-TRIBENZYLGALACTOSAMINE
  • NSC226912
  • MN GLYCAN
  • MAN1-B-4GLCNAC
  • MAN-BETA1-4GLCNAC
  • β-D-Man-(1→4)-D-GlcNAc
  • BETA-1-4-MANNOPYRANOSYL-N-ACETYL GLUCOSAMINE
  • 2-acetamido-2-deoxy-4-O-*(beta-D-mannopyranosyl)-
  • 2-ACETAMIDO-2-DEOXY-4-O-(B-D-MANNOPYRANOSYL)-D-GLUCOSE
  • 2-acetamido-2-deoxy-4-O-(beta-D-mannopyranosyl)-D-gluco..
  • 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-MANNOPYRANOSYL)-D-GLUCOSE
  • 2-Acetamido-2-deoxy-4-0-(β-D-mannopyranosyl)-D-glucopyranose
  • C20887
  • beta-D-Man-(1->4)-D-GlcNAc
  • 4-O-beta-D-mannopyranosyl-N-acetyl-D-glucosamine
  • an oligosaccharide-(1->3)-[oligosaccharide-(1->6)]-beta-D-Man-(1->4)-D-GlcNAc
  • CHEBI:192715
  • beta-D-mannosyl-(1->4)-N-acetyl-D-glucosamine
  • Man(b1-4)GlcNAc
  • A-D-mannopyranosyl-D-glucopyranose
  • CHEBI:76821
  • beta-D-Manp-(1->4)-D-GlcpNAc
  • N-[(3R,4R,5S,6R)-2,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDE
  • 2-ACETAMIDO-2-DEOXY-4-O-(B-D-MANNOPYRANOSYL)-D-GLUCOPYRANOSE
  • beta-D-Mannosyl-1,4-N-acetyl-D-glucosamine
  • 2-acetamido-2-deoxy-4-O-beta-D-mannopyranosyl-D-glucopyranose
  • Manbeta1-4GlcNAc
  • 186765-90-2
  • 2-(Acetylamino)-2-deoxy-4-O-
  • beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
  • 2-Acetamido-2-deoxy-4-O-(?-D-mannopyranosyl)-D-glucose
  • F_FULL_11000000000000_GS_1733
  • (GlcNAc)1 (Man)1
  • N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • Q27146355
物化性质
实验特性
LogP -4.86250
PSA 198.40000
溶解度 易溶 (290 g/L) (25 ºC),
计算特性
精确分子量 383.14276061g/mol
氢键供体数量 8
氢键受体数量 11
可旋转化学键数量 5
同位素质量 383.14276061g/mol
重原子数量 26
复杂度 480
同位素原子数量 0
确定原子立构中心数量 9
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -4.7
拓扑分子极性表面积 198Ų
安全信息
专业数据库参考
PubChemId 71297235
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