4-O-Acetyl-3,6-di-O-(3,4,6-tri-O-acetyl-b-D-mannopyranosyl-ethylidyne)-1,2-O-ethylidene-b-D-mannopyranose
4-O-Acetyl-3,6-di-O-(3,4,6-tri-O-acetyl-b-D-mannopyranosyl-ethylidyne)-1,2-O-ethylidene-b-D-mannopyranose · CAS 230963-27-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-O-Acetyl-3,6-di-O-(3,4,6-tri-O-acetyl-b-D-mannopyranosyl-ethylidyne)-1,2-O-ethylidene-b-D-mannopyranose
- CAS
- 230963-27-6
- CID
- 10898272
- IUPAC 名称
- [(3aS,5R,6R,7S,7aS)-2-[[(3aS,5R,6R,7S,7aS)-7-[[(3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-6-acetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy]-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-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-(3,4,6-tri-O-acetyl-b-D-mannopyranosyl-ethylidyne)-1,2-O-ethylidene-b-D-mannopyranose
- CAS
- 230963-27-6
- CID
- 10898272
- IUPAC 名称
- [(3aS,5R,6R,7S,7aS)-2-[[(3aS,5R,6R,7S,7aS)-7-[[(3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-6-acetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy]-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-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
- -0.8
- 极性表面积
- 286 Ų
- 氢键供体
- 0
- 氢键受体
- 25
- 可旋转键
- 21
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1740
结构标识
- InChIKey
- AOXHPNMURYCURT-PDTDVYFFSA-N
- SMILES
- CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC3(O[C@H]4[C@H]([C@@H]([C@H](O[C@H]4O3)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC5(O[C@H]6[C@H]([C@@H]([C@H](O[C@H]6O5)COC(=O)C)OC(=O)C)OC(=O)C)C
- InChI
- InChI=1S/C38H52O25/c1-14(39)46-11-22-25(49-16(3)41)28(52-19(6)44)32-35(57-22)62-37(9,60-32)48-13-24-27(51-18(5)43)30(31-34(56-24)55-21(8)54-31)59-38(10)61-33-29(53-20(7)45)26(50-17(4)42)23(12-47-15(2)40)58-36(33)63-38/h21-36H,11-13H2,1-10H3/t21?,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34-,35+,36+,37?,38?/m1/s1