68128-53-0 (阿卡波糖杂质D,Amylostatin XG)

CAS号:
68128-53-0
中文名称:
阿卡波糖杂质D
英文名称:
Amylostatin XG
分子式:
C19H33NO13
分子量:
483.464227437973
API:

阿卡波糖杂质D(68128-53-0)名称与标识符

名称

中文别名:
4-O-[4-[[(1s)-4β,5α,6β-三羟基-3-(羟基甲基)-2-环己烯-1β-基]氨基]-4,6-二脱氧-α-d-吡喃葡萄糖]-d-葡萄糖;阿卡波糖杂质D;邻苯二甲酸二(2-丙基庚基)酯;抑淀粉酶素 XG;
英文别名:
Amylostatin XG;Amylostatin XG Discontinued;4-O-[4-[[(1S)-4β,5α,6β-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1β-yl]amino]-4,6-dideoxy-α-D-glucopyranosyl]-D-glucose;Amylostatin XG Discontinued;4-O-[4,6-Dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-alpha-D-glucopyranosyl]-D-glucose;Acarviosine-glucose;Acarviostatin I00;Acarbose EP impurity D;Acarbose Impurity D;Q27236051;050YDH9X9C;UNII-050YDH9X9C;ACARBOSE IMPURITY D [USP IMPURITY];4-O-(4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL)-D-GLUCOPYRANOSE;D-Glucose, 4-O-(4,6-dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl)-, (1S-(1alpha,4alpha,5beta,6alpha))-;D-GLUCOSE, 4-O-(4,6-DIDEOXY-4-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL)-, (1S-(1.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-;68128-53-0;ACARBOSE IMPURITY D [EP IMPURITY];(2R,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal;D-Glucose, 4-O-(4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl)-;D-GLUCOSE, 4-O-(4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL)-;AcvGlc;

标识符

InChIKey:
UMFZJPRJFORIIJ-BGDITRTQSA-N
Inchi:
1S/C19H33NO13/c1-6-11(20-8-2-7(3-21)12(26)16(30)13(8)27)15(29)17(31)19(32-6)33-18(10(25)5-23)14(28)9(24)4-22/h2,4,6,8-21,23-31H,3,5H2,1H3/t6-,8+,9+,10-,11-,12-,13+,14-,15+,16+,17-,18-,19-/m1/s1
SMILES:
O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1C)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O

阿卡波糖杂质D(68128-53-0)物化性质

实验特性

  • 沸点 : NA
  • 熔点 : NA
  • 溶解度 : 略溶 (19 g/L) (25 ºC),

计算特性

  • 精确分子量 : 483.19519011g/mol
  • 氢键供体数量 : 11
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 10
  • 同位素质量 : 483.19519011g/mol
  • 重原子数量 : 33
  • 复杂度 : 666
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 13
  • 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) : -6.7
  • 拓扑分子极性表面积 : 250Ų

阿卡波糖杂质D(68128-53-0)安全信息

阿卡波糖杂质D(68128-53-0)参考资料

Reaxys RN:
PubChem CID: