CAS: 131-48-6
名称: (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES:
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O分子加工
分子式
C11H19NO9
分子量
309.27
精确质量
309.106
XLogP
-3.87
TPSA
176.78
氢键给体数
7
氢键受体数
8
可旋转键
5
重原子数
21
环数
1
芳香环
0
饱和环
1
脂环
1
立体中心
6
未定义立体
6
形式电荷
0
杂原子数
10
共价单元
1
sp3占比
0.818
摩尔折射率
64.79
补充信息
InChIKey: SQVRNKJHWKZAKO-LUWBGTNYSA-N
同义词
N-acetylneuraminic acidNeu5AcN-Acetyl-neuraminic acid5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid5-n-acetyl-neuraminic acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-2-nonulopyranosonic Acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-2-nonulosonic Acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-non-2-nonulosonic Acid5-(Acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic AcidD-glycero-5-acetamido-3,5-dideoxy-D-galacto-Non-2-ulo-pyranosonic AcidNeu5Ac (SNFG)SNFG:Neu5AcNeuAc131-48-6Neuraminic acid, N-acetyl-N-acetylneuraminateO-sialic acidCHEMBL4280954CHEBI:17012NSC 111756N-acetylneuraminic acid dihydrateC11H19NO95-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid5-N-Acetylneuraminic acid489-46-3NSC111756bmse000057Epitope ID:146100SCHEMBL236448
参与 36 个反应→