2-[(4-{[(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

• ChemBase编号: 105830
• 分子式: C19H19N7O6
• 平均质量: 441.39746
• 单一同位素质量: 441.13968136
• SMILES: OC(=O)CCC(NC(=O)c1ccc(NCc2nc3c([nH]c(=N)nc3O)nc2)cc1)C(=O)O
• Canonical SMILES: OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(=N)[nH]2
• InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
• InChIKey: OVBPIULPVIDEAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4-{[(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
• IUPAC传统名: 2-[(4-{[(4-hydroxy-2-imino-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
• 别名: Pteroylglutamic Acid; Vitamin M; FOLIC ACID; Pteroyl-L-Glutamic Acid; Folate; 1-N-(p-(((-2-Amino-4-Hydroxy-6-Pteridinyl)Methyl)Amino)Benzoyl)Glutamic Acid; Folacin; FOLIC ACID, U.S.P.

登记号

• CAS号: 59-30-3
• EC号: 200-419-0
• PubChem SID: 162092961
• PubChem CID: 3405

理论计算性质

• Acid pKa: 3.395176
• 质子受体: 12
• 质子供体: 7
• LogD (pH = 5.5): -3.7611399
• LogD (pH = 7.4): -6.7845817
• Log P: -0.50534844
• 摩尔折射率: 122.0257 cm^3
• 极化性: 40.425907 Å^3
• 极化表面积: 209.98 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C), Protect from light
• RTECS编号: LP5425000

产品相关信息

• 纯度: ≥95%
• 级别: USP

详细说明

MP Biomedicals - 02194665

Cell Culture Reagent
Crystalline
Purity: >95%