4304-12-5 (苄基 ALPHA-D-吡喃葡萄糖苷,Benzyl b-D-Glucopyranoside)

CAS号:
4304-12-5
中文名称:
苄基 ALPHA-D-吡喃葡萄糖苷
英文名称:
Benzyl b-D-Glucopyranoside
分子式:
C13H18O6
分子量:
270.278424739838

苄基 ALPHA-D-吡喃葡萄糖苷(4304-12-5)名称与标识符

名称

中文别名:
苄基 ALPHA-D-吡喃葡萄糖苷;苄基β- D -葡萄糖苷;苄基 α-D-吡喃葡萄糖苷;
英文别名:
(2R,3R,4S,5S,6R)-2-(Benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;Benzyl β-D-Glucopyranoside;BENZYL ALPHA-D-GLUCOPYRANOSIDE;BENZYL ß-D-GLUCOPYRANOSIDE;Benzyl Beta-D-Glucopyranoside;D86091;CHEMBL2336738;ACon1_002322;NCGC00169955-02_C13H18O6_Benzyl beta-D-glucopyranoside;benzyl alcohol-7-O-beta-D-glucopyranoside;Benzyl hexopyranoside;phenylmethyl beta-D-glucopyranoside;A-d-glucopyranoside;4304-12-5;(2R,3R,4S,5S,6R)-2-(BENZYLOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL;benzyl-o-beta-d-glucopyranoside;benzyl alcohol-7-O-beta-D-glucoside;NCGC00169955-02;(-)-BENZYL .BETA.-D-GLUCOSIDE;Benzyl-beta-D-glucoside;1-O-benzyl-beta-D-glucopyranose;C2542227-8A44-4AA0-ACE1-5CB5555F52EE;NCGC00169955-01;Benzyl glucopyranoside, >=95% (LC/MS-ELSD);Benzyl .beta.-D-glucopyranoside;Benzyl beta -D-Glucopyranoside;7ILL1IJM8R;benzyl alcohol glucoside;AKOS016012289;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol;DTXSID30962864;(2R,3R,4S,5S,6R)-2-benzyloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;Benzyl beta-d-glucoside;BENZYL-O-.BETA.-D-GLUCOPYRANOSIDE;CS-0210263;.BETA.-D-GLUCOPYRANOSIDE, PHENYLMETHYL;benzyl glucoside;HMS1548K02;WS-01270;GKHCBYYBLTXYEV-UJPOAAIJSA-N;Q27268359;BENZYL ?-D-GLUCOPYRANOSIDE;benzyl ;SCHEMBL5026363;BRD-K55170554-001-02-6;UNII-7ILL1IJM8R;TimTec1_005150;CHEBI:141411;124492-59-7;(-)-Benzyl-O-beta-D-glucopyranoside;benzyl ?-D-glucoside;b-D-Glucopyranoside, phenylmethyl;Benzyl beta-D-gluco-hexopyranoside;Benzyl b-D-glucopyranoside;

标识符

MDL:
MFCD00674884
InChIKey:
GKHCBYYBLTXYEV-UJPOAAIJSA-N
Inchi:
1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OCC1C=CC=CC=1

苄基 ALPHA-D-吡喃葡萄糖苷(4304-12-5)物化性质

实验特性

  • LogP : -0.99690
  • PSA : 99.38000
  • 折射率 : 1.611
  • 沸点 : 480.2±45.0 °C at 760 mmHg
  • 熔点 : 95-103°C
  • 蒸气压 : 0.0±1.3 mmHg at 25°C
  • 闪点 : 244.2±28.7 °C
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 270.11000
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 270.11
  • 重原子数量 : 19
  • 复杂度 : 268
  • 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) : _0.7
  • 拓扑分子极性表面积 : 99.4A^2

苄基 ALPHA-D-吡喃葡萄糖苷(4304-12-5)海关数据

海关编码:
2932999099
海关数据:

中国海关编码:

2932999099

概述:

2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

苄基 ALPHA-D-吡喃葡萄糖苷(4304-12-5)参考资料

Reaxys RN:
PubChem CID: