calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

• 常用名: calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate
• 英文名: calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate
• CAS号: 61315-98-8
• 分子量: 890.93700
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₈H₄₂CaO₁₈S₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: calcium,3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate

物理化学性质

• 分子式: C₃₈H₄₂CaO₁₈S₂
• 分子量: 890.93700
• 精确质量: 890.14400
• PSA: 323.60000
• LogP: 7.60640
• InChIKey: QYQCMZDVUBLTNS-UHFFFAOYSA-L
• SMILES: COc1ccc(CCC(=O)c2c(O)cc(OCCCS(=O)(=O)[O-])cc2O)cc1O.COc1ccc(CCC(=O)c2c(O)cc(OCCCS(=O)(=O)[O-])cc2O)cc1O.[Ca+2]