(2S)-2-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

• ChemBase编号: 133033
• 分子式: C19H23N7O6
• 平均质量: 445.42922
• 单一同位素质量: 445.17098149
• SMILES: c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC1CNc2c(c(=O)[nH]c(n2)N)N1
• Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)[nH]c(n2)N
• InChI: InChI=1S/C19H23N7O6/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/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
• InChIKey: MSTNYGQPCMXVAQ-KIYNQFGBSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
• IUPAC传统名: tetrahydrofolic acid
• 别名: 5,6,7,8-四氢蝶酰基-L-谷氨酸; 四氢叶酸; THF; Tetrahydrofolic acid

登记号

• CAS号: 135-16-0
• EC号: 205-181-1
• MDL号: MFCD00135583
• Beilstein号: 9238187
• PubChem SID: 162227310; 24900106
• PubChem CID: 91443

理论计算性质

• Acid pKa: 3.1998396
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -5.3096776
• LogD (pH = 7.4): -8.080705
• Log P: -3.2120814
• 摩尔折射率: 121.5866 cm^3
• 极化性: 41.3385 Å^3
• 极化表面积: 207.27 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: faintly yellow to light brown powder

安全信息

• RTECS编号: MA0600800
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥65% (when packaged)

详细说明

Sigma Aldrich - T3125

Biochem/physiol Actions
四氢叶酸是为氨基酸、核酸和脂质提供一碳单位的叶酸盐衍生物的母体分子。四氢叶酸盐代谢物参与嘌呤和嘧啶的合成以及氨基酸的合成和转化
包装
密封安瓿瓶。
Application
A recent use of tetrahydrofolate (THF) is for the studying the activation of riboswitches.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. T3125.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.