4-O-Acetyl-3,6-DI-O-(2,3,4,6-tetra-O-acetyl-A-D-mannopyranosyl)-1,2-ethylidene-B-D-mannopyranose
4-O-Acetyl-3,6-DI-O-(2,3,4,6-tetra-O-acetyl-A-D-mannopyranosyl)-1,2-ethylidene-B-D-mannopyranose · CAS 230953-17-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-O-Acetyl-3,6-DI-O-(2,3,4,6-tetra-O-acetyl-A-D-mannopyranosyl)-1,2-ethylidene-B-D-mannopyranose
- CAS
- 230953-17-0
- CID
- 10920075
- IUPAC 名称
- [(2R,3R,4S,5S,6S)-6-[[(3aS,5R,6R,7S,7aS)-6-acetyloxy-2-methyl-7-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-O-Acetyl-3,6-DI-O-(2,3,4,6-tetra-O-acetyl-A-D-mannopyranosyl)-1,2-ethylidene-B-D-mannopyranose
- CAS
- 230953-17-0
- CID
- 10920075
- IUPAC 名称
- [(2R,3R,4S,5S,6S)-6-[[(3aS,5R,6R,7S,7aS)-6-acetyloxy-2-methyl-7-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
分子属性
- 分子式
- C38H52O25
- 分子量
- 908.8 g/mol
- 精确质量
- 908.27976714 Da
- 单同位素质量
- 908.27976714 Da
- XLogP
- -0.9
- 极性表面积
- 301 Ų
- 氢键供体
- 0
- 氢键受体
- 25
- 可旋转键
- 25
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1700
结构标识
- InChIKey
- YWTLKYGRDHOVGY-TXSWQAALSA-N
- SMILES
- CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C38H52O25/c1-14(39)48-11-24-27(51-16(3)41)30(54-19(6)44)33(56-21(8)46)36(60-24)50-13-26-29(53-18(5)43)32(35-37(61-26)59-23(10)58-35)63-38-34(57-22(9)47)31(55-20(7)45)28(52-17(4)42)25(62-38)12-49-15(2)40/h23-38H,11-13H2,1-10H3/t23?,24-,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-/m1/s1