主记录
X-Neu5Ac
- CAS
- 160369-85-7
- PubChem CID
- 66577049
- SMILES
- CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na]
- 分子式
- C19H22BrClN2NaO9
- 分子量
- 560.737
- 精确分子量
- 559.0095
- InChI
- InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/t10-,11+,15+,16+,17+,19+;/m0./s1
- InChIKey
- IZESFRHTHSKBEU-GNZCRVNMSA-N
- LogP
- -0.2687
- TPSA
- 181.57
名称与别名
- X-Neu5Ac
- X-NeuNAc
- HY-32263
- 369A857
- 160369-85-7
- alpha-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)
- Anneuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, monosodium salt
- alpha-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, monosodium salt (9CI)