Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate · CAS 120308-52-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
- CAS
- 120308-52-3
- CID
- 4164003
- IUPAC 名称
- methyl 5-acetamido-2-chloro-4-phenylmethoxy-3-phenylsulfanyl-6-[1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl 5-acetamido-4,7,8,9-tetra-O-benzyl-2-chloro-2,3,5-trideoxy-3-phenylthio-D-erytho-L-gluco-2-nonulopyranosonate
- CAS
- 120308-52-3
- CID
- 4164003
- IUPAC 名称
- methyl 5-acetamido-2-chloro-4-phenylmethoxy-3-phenylsulfanyl-6-[1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
分子属性
- 分子式
- C46H48ClNO8S
- 分子量
- 810.4 g/mol
- 精确质量
- 809.2789164 Da
- 单同位素质量
- 809.2789164 Da
- XLogP
- 7.6
- 极性表面积
- 127 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 20
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1170
结构标识
- InChIKey
- KCDZRKSFBWKDOY-UHFFFAOYSA-N
- SMILES
- CC(=O)NC1C(C(C(OC1C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)(C(=O)OC)Cl)SC5=CC=CC=C5)OCC6=CC=CC=C6
- InChI
- InChI=1S/C46H48ClNO8S/c1-33(49)48-40-42(56-46(47,45(50)51-2)44(57-38-26-16-7-17-27-38)43(40)55-31-37-24-14-6-15-25-37)41(54-30-36-22-12-5-13-23-36)39(53-29-35-20-10-4-11-21-35)32-52-28-34-18-8-3-9-19-34/h3-27,39-44H,28-32H2,1-2H3,(H,48,49)