145932-53-2 ((D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-)

CAS号:
145932-53-2
英文名称:
D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-
分子式:
C34H56O27
分子量:
896.792254447937

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-(145932-53-2)名称与标识符

名称

英文别名:
(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6;4,6-O-3-Ketobutylidene maltopentaose;D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®3KB-G5;4)-O-a-D-glucopyranosyl-(1®D-Glucose, O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-;145932-53-2;(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal;

标识符

InChIKey:
RIIUMFRKVWMIQP-PLTJGBMKSA-N
Inchi:
1S/C34H56O27/c1-9(40)2-16-52-8-15-30(57-16)21(47)25(51)34(56-15)61-29-14(7-39)55-33(24(50)20(29)46)60-28-13(6-38)54-32(23(49)19(28)45)59-27-12(5-37)53-31(22(48)18(27)44)58-26(11(42)4-36)17(43)10(41)3-35/h3,10-34,36-39,41-51H,2,4-8H2,1H3/t10-,11+,12+,13+,14+,15+,16?,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+/m0/s1
SMILES:
O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@H]2[C@@H](COC(CC(C)=O)O2)O1)O)O)O)O)[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-(145932-53-2)物化性质

计算特性

  • 精确分子量 : 896.301
  • 氢键供体数量 : 15
  • 氢键受体数量 : 27
  • 可旋转化学键数量 : 18
  • 同位素质量 : 896.301
  • 重原子数量 : 61
  • 复杂度 : 1380
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 24
  • 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) : -11.3
  • 拓扑分子极性表面积 : 430Ų

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-(145932-53-2)推荐厂家 更多厂家(1)

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