methyl (2S,3S,4S,5R,6R)-6-{[(1R,3R,4R,5S)-3-(acetyloxy)-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-3-azido-4,5-bis(benzyloxy)oxan-2-yl]oxy}-4,5-bis(benzyloxy)oxane-2-carboxylate
methyl (2S,3S,4S,5R,6R)-6-{[(1R,3R,4R,5S)-3-(acetyloxy)-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-3-azido-4,5-bis(benzyloxy)oxan-2-yl]oxy}-4,5-bis(benzyloxy)oxane-2-carboxylate · CAS 99541-27-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2S,3S,4S,5R,6R)-6-{[(1R,3R,4R,5S)-3-(acetyloxy)-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-3-azido-4,5-bis(benzyloxy)oxan-2-yl]oxy}-4,5-bis(benzyloxy)oxane-2-carboxylate
- CAS
- 99541-27-2
- CID
- 13502680
- IUPAC 名称
- methyl 6-[(3-acetyloxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy]-3-[6-(acetyloxymethyl)-3-azido-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2S,3S,4S,5R,6R)-6-{[(1R,3R,4R,5S)-3-(acetyloxy)-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-3-azido-4,5-bis(benzyloxy)oxan-2-yl]oxy}-4,5-bis(benzyloxy)oxane-2-carboxylate
- CAS
- 99541-27-2
- CID
- 13502680
- IUPAC 名称
- methyl 6-[(3-acetyloxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy]-3-[6-(acetyloxymethyl)-3-azido-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
分子属性
- 分子式
- C51H56N6O16
- 分子量
- 1009 g/mol
- 精确质量
- 1008.37527972 Da
- 单同位素质量
- 1008.37527972 Da
- XLogP
- 6.5
- 极性表面积
- 200 Ų
- 氢键供体
- 0
- 氢键受体
- 20
- 可旋转键
- 25
- 重原子数
- 73
- 净电荷
- 0
- 结构复杂度
- 1850
结构标识
- InChIKey
- ZNKBYQIZKKPZDJ-UHFFFAOYSA-N
- SMILES
- CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)OC)OC3C4COC(O4)C(C3OC(=O)C)N=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)OCC8=CC=CC=C8
- InChI
- InChI=1S/C51H56N6O16/c1-30(58)62-28-36-40(63-24-32-16-8-4-9-17-32)42(64-25-33-18-10-5-11-19-33)38(54-56-52)50(70-36)72-45-44(65-26-34-20-12-6-13-21-34)47(66-27-35-22-14-7-15-23-35)51(73-46(45)48(60)61-3)71-41-37-29-67-49(69-37)39(55-57-53)43(41)68-31(2)59/h4-23,36-47,49-51H,24-29H2,1-3H3