4-吡哆酸结构式
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常用名 | 4-吡哆酸 | 英文名 | 4-Pyridoxic acid |
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CAS号 | 82-82-6 | 分子量 | 183.16100 | |
密度 | 1.48g/cm3 | 沸点 | 584.5ºC at 760 mmHg | |
分子式 | C8H9NO4 | 熔点 | 258-261ºC (dec.)(lit.) | |
MSDS | 中文版 美版 | 闪点 | 307.3ºC | |
符号 |
GHS07 |
信号词 | Warning |
4-吡哆酸用途4-Pyridoxic acid是维生素B6的分解代谢产物,从尿液中分泌。 |
中文名 | 2-甲基-3-羟基-4-羧基-3-羟甲基吡啶 |
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英文名 | 4-pyridoxic acid |
中文别名 | 4-吡哆酸 | 3-羟基-5-(羟甲基)-2-甲基-4-吡啶羧酸 |
英文别名 | 更多 |
描述 | 4-Pyridoxic acid是维生素B6的分解代谢产物,从尿液中分泌。 |
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相关类别 | |
靶点 |
Human Endogenous Metabolite |
参考文献 |
密度 | 1.48g/cm3 |
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沸点 | 584.5ºC at 760 mmHg |
熔点 | 258-261ºC (dec.)(lit.) |
分子式 | C8H9NO4 |
分子量 | 183.16100 |
闪点 | 307.3ºC |
精确质量 | 183.05300 |
PSA | 90.65000 |
LogP | 0.28610 |
折射率 | 1.637 |
储存条件 | 应密封于0℃以下干燥保存。 |
稳定性 | 有特有的蓝色荧光,pH3~4时为最大,与亚硫酸氢盐反应荧光消失,与过氧化氢反应则又回复原先的荧光强度。 |
分子结构 | 1、 摩尔折射率:44.43 2、 摩尔体积(m3/mol):123.7 3、 等张比容(90.2K):369.7 4、 表面张力(dyne/cm):79.8 5、 极化率(10-24cm3):17.61 |
计算化学 | 1.疏水参数计算参考值(XlogP):0.1 2.氢键供体数量:3 3.氢键受体数量:5 4.可旋转化学键数量:2 5.互变异构体数量:4 6.拓扑分子极性表面积90.6 7.重原子数量:13 8.表面电荷:0 9.复杂度:197 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
更多 | 1. 性状:楔形结晶 2. 密度(g/mL,25/4℃):1.72 3. 相对蒸汽密度(g/mL,空气=1):不确定 4. 熔点(ºC):247~248 5. 沸点(ºC,常压):不确定 6. 沸点(ºC,5.2kPa):不确定 7. 折射率:不确定 8. 闪点(ºC):不确定 9. 比旋光度(º):不确定 10. 自燃点或引燃温度(ºC):不确定 11. 蒸气压(kPa,25ºC):不确定 12. 饱和蒸气压(kPa,60ºC):不确定 13. 燃烧热(KJ/mol):不确定 14. 临界温度(ºC):不确定 15. 临界压力(KPa):不确定 16. 油水(辛醇/水)分配系数的对数值:不确定 17. 爆炸上限(%,V/V):不确定 18. 爆炸下限(%,V/V):不确定 19. 溶解性:溶于碱性水溶液,微溶于水、乙醇、吡啶,不溶于乙醚和酸性水溶液 |
4-吡哆酸毒理学数据: 急性毒性: 大鼠口径LD50:7500 mg/kg;大鼠皮下LD50:5400 mg/kg;大鼠静脉LD50:2050 mg/kg 小鼠口径LD50:2900 mg/kg;小鼠皮下LD50:2500 mg/kg;小鼠静脉LD50:500 mg/kg |
符号 |
GHS07 |
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信号词 | Warning |
危害声明 | H315-H319-H335 |
警示性声明 | P261-P305 + P351 + P338 |
个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
危害码 (欧洲) | Xi: Irritant; |
风险声明 (欧洲) | 36/37/38 |
安全声明 (欧洲) | 26-36 |
危险品运输编码 | NONH for all modes of transport |
RTECS号 | NS1800000 |
海关编码 | 2933399090 |
~% 4-吡哆酸 82-82-6 |
文献:Journal of the American Chemical Society, , vol. 70, p. 3434 |
~% 4-吡哆酸 82-82-6 |
文献:Polish Journal of Chemistry, , vol. 72, # 3 p. 573 - 581 |
~% 4-吡哆酸 82-82-6 |
文献:Inorganic Chemistry Communications, , vol. 14, # 7 p. 1102 - 1106 |
~% 4-吡哆酸 82-82-6 |
文献:Polish Journal of Chemistry, , vol. 70, # 3 p. 354 - 363 |
4-吡哆酸上游产品 3 | |
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4-吡哆酸下游产品 1 | |
海关编码 | 2933399090 |
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中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease.
J. Chromatogr. A. 562(1-2) , 125-38, (1991) Eighty-five clinical urine samples and nineteen urine samples previously found by other laboratories to suggest genetic metabolic defects were prepared for trimethylsilylation by treatment with urease... |
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Clinical analysis of vitamin B(6): determination of pyridoxal 5'-phosphate and 4-pyridoxic acid in human serum by reversed-phase high-performance liquid chromatography with chlorite postcolumn derivatization.
Anal. Biochem. 333(2) , 336-44, (2004) A reversed-phase high-performance liquid chromatography (HPLC) method with fluorometric detection was developed for the routine determination of pyridoxal 5'-phosphate (PLP) and 4-pyridoxic acid (4-PA... |
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Whole Grain Consumption Increases Gastrointestinal Content of Sulfate-Conjugated Oxylipins in Pigs - A Multicompartmental Metabolomics Study.
J. Proteome Res. 14 , 3095-110, (2015) The effects of increased intake of dietary fiber as either whole grain rye or as resistant starch compared to a typical low dietary fiber Western-style diet on the metabolomics responses were studied ... |
4-pyridoxinecarboxylicacid |
4-Pyridoxicacidcrystalline |
3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure |
3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridine-carboxylic acid |
4-pyridoxylicacid |
EINECS 201-440-8 |
4-pyridoxinicacid |
4-pyridoxinsaeure |
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid |
4-Pyridoxic |
Pyridoxic Acid |
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid |
4-PYRIDOXIC ACID |
3-hydroxy-2-methyl-5-methylol-isonicotinic acid |
MFCD00006334 |