6-a-D-Glucopyranosylmaltotriose Tetradecaacetate
6-a-D-Glucopyranosylmaltotriose Tetradecaacetate · CAS 852311-55-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-a-D-Glucopyranosylmaltotriose Tetradecaacetate
- CAS
- 852311-55-8
- CID
- 71317084
- IUPAC 名称
- [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-a-D-Glucopyranosylmaltotriose Tetradecaacetate
- CAS
- 852311-55-8
- CID
- 71317084
- IUPAC 名称
- [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate
分子属性
- 分子式
- C52H70O35
- 分子量
- 1255.1 g/mol
- 精确质量
- 1254.3697639 Da
- 单同位素质量
- 1254.3697639 Da
- XLogP
- -1.5
- 极性表面积
- 433 Ų
- 氢键供体
- 0
- 氢键受体
- 35
- 可旋转键
- 38
- 重原子数
- 87
- 净电荷
- 0
- 结构复杂度
- 2530
结构标识
- InChIKey
- PPMSNFJBECDVQQ-DWKJKVJSSA-N
- SMILES
- CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C52H70O35/c1-19(53)67-15-33-37(71-22(4)56)41(73-24(6)58)45(77-28(10)62)49(82-33)70-18-36-38(72-23(5)57)42(74-25(7)59)47(79-30(12)64)51(85-36)87-40-35(17-69-21(3)55)84-52(48(80-31(13)65)44(40)76-27(9)61)86-39-34(16-68-20(2)54)83-50(81-32(14)66)46(78-29(11)63)43(39)75-26(8)60/h33-52H,15-18H2,1-14H3/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50?,51-,52-/m1/s1