维生素B12-d-羧酸
[CAS# 38218-55-2]

基本信息

• 产品名称: 维生素B12-d-羧酸
• 英文名: Cyanocobalamin-d-carboxylic acid
• 别名: cobalt(3+) [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,17-bis(3-amino-3-oxopropyl)-12-(2-carboxyethyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate cyanide
• 分子式: C₆₃H₈₇CoN₁₃O₁₅P
• 分子量: 1356.35
• CAS 登录号: 38218-55-2
• 分子行输入简码SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)/C(=C7/C(C(C(=N7)/C=C8/C(C(C(=N8)/C(=C4[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)O)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

物理化学性质

• 密度: 1.5±0.1 g/cm³, 计算值^*
• 折射率: 1.602, 计算值^*
• 沸点: 358.5±37.0 °C (760 mmHg), 计算值^*
• 闪点: 170.6±26.5 °C, 计算值^*

^* 使用计算机软件 Advanced Chemistry Development (ACD/Labs) Software.