14257-69-3 (2-脱氧-2-氨基-b-D-葡萄糖,2-amino-2-deoxy-alpha-D-glucose)

CAS号:
14257-69-3
中文名称:
2-脱氧-2-氨基-b-D-葡萄糖
英文名称:
2-amino-2-deoxy-alpha-D-glucose
分子式:
C6H13NO5
分子量:
179.171122312546

2-脱氧-2-氨基-b-D-葡萄糖(14257-69-3)名称与标识符

名称

中文别名:
2-脱氧-2-氨基-b-D-葡萄糖;
英文别名:
2-amino-2-deoxy-alpha-D-glucose;2-amino-alpha-D-2-deoxy-glucopyranose;2-amino-D-2-deoxy-glucose;alpha-D-glucosamine;D-glucosamine;GlcNH;glucosamine;2-amino-2-deoxy-D-glucopyranose;beta-1,4-Poly-D-glucosamine;2-amino-2-deoxy-beta-D-galactopyranose;chitosan;beta-galactosylamine;2-Amino-2-deoxy-D-talopyranose;beta-D-glucosamine;Chitosamine;Glucosaminum [INN-Latin];2-amino-2-deoxy-D-talose;2-DEOXY-2-AMINOGALACTOSE;[4)-beta-D-GlcpN(1->]n;2-Amino-2-deoxy-D-glucose;(3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;beta-D-galactosamine;Deacetylchitin;2-Amino-2-deoxy-beta-D-glucopyranose;Spectrum2_000519;NCGC00178826-01;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;.BETA.-D-GLUCOPYRANOSE, 2-AMINO-2-DEOXY-;GLUCOSAMINE .BETA.-FORM;(2R,3R,4R,5S,6R)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol;InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1;NS00010536;NCGC00164421-01;Spectrum_000831;GCS;D-beta-glucosamine;KBio3_001306;KBio2_003879;AB00053477_02;(1->4)-2-amino-2-deoxy-beta-D-glucan;HMS500N03;GLUCOSAMINE .BETA.-FORM [MI];BSPBio_002086;Q27077039;Spectrum5_000756;SCHEMBL3263;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol;AKOS006277722;GTPL4535;14257-69-3;DivK1c_000261;IDI1_000261;beta-Glucosamine;beta-Glucosamine, d-;beta-D-Glucopyranose, 2-amino-2-deoxy-;SPBio_000477;glucosamin;90-77-7;KBio1_000261;SBI-0051394.P003;KBio2_001311;Spectrum3_000443;Glucosamine, beta-D;KBioGR_000970;NINDS_000261;Spectrum4_000565;GLUCOSAMINE, .BETA.-D;.BETA.-GLUCOSAMINE;CHEBI:16261;KBioSS_001311;D-Glucopyranose, 2-deoxy-2-Amino-;DTXSID601347914;58L064K8RR;UNII-58L064K8RR;3h-glucosamine;CHEMBL234432;KBio2_006447;BRD-K29918010-003-04-1;C08349;CHEBI:28393;.BETA.-D-GLUCOSAMINE;MSWZFWKMSRAUBD-QZABAPFNSA-;.BETA.-GLUCOSAMINE, D-;WURCS=2.0/1,1,0/(a2122h-1b_1-5_2*N)/1/;WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*N]/1/;GLUCOSAMINE BETA-FORM;

标识符

InChIKey:
MSWZFWKMSRAUBD-QZABAPFNSA-N
Inchi:
1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)N)O

2-脱氧-2-氨基-b-D-葡萄糖(14257-69-3)物化性质

计算特性

  • 精确分子量 : 179.07937252g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 1
  • 同位素质量 : 179.07937252g/mol
  • 重原子数量 : 12
  • 复杂度 : 155
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 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) : -1.764
  • 拓扑分子极性表面积 : 116Ų

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