描述 |
Pelargonidin chloride 是一氧化氮自由基的清除剂 (scavenger),具有抗氧化活性。 |
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相关类别 |
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SMILES |
OC1=CC=C(C2=C(O)C=C3C(C=C(O)C=C3O)=[O+]2)C=C1.[Cl-] |
参考文献 |
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分子式 | C15H11ClO5 |
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分子量 | 306.698 |
精确质量 | 306.029510 |
PSA | 94.06000 |
LogP | 0.20730 |
储存条件 |
密封储存,储存于阴凉、干燥的库房。 |
稳定性 |
常温常压下稳定。 |
分子结构 |
1、摩尔折射率:无可用的 2、摩尔体积(cm3/mol):无可用的 3、等张比容(90.2K):无可用的 4、表面张力(dyne/cm):无可用的 5、介电常数:无可用的 6、极化率(10-24cm3):无可用的 7、单一同位素质量:306.029501 Da 8、标称质量:306 Da 9、平均质量:306.6978 Da |
计算化学 |
1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:4 3.氢键受体数量:5 4.可旋转化学键数量:1 5.互变异构体数量:152 6.拓扑分子极性表面积81.9 7.重原子数量:21 8.表面电荷:0 9.复杂度:328 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:2 |
更多 |
1. 性状:粉末 2. 密度(g/mL,25℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(?C):未确定 5. 沸点(?C,常压):未确定 6. 沸点(?C,0.1mmHg):未确定 7. 折射率(n20/D):未确定 8. 闪点(?C):未确定 9. 比旋光度(?):未确定 10. 自燃点或引燃温度(?C):未确定 11. 蒸气压(mmHg,20?C):未确定 12. 饱和蒸气压(kPa,25?C):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(?C):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:未确定 |
个人防护装备 |
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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安全声明 (欧洲) |
S22-S24/25 |
危险品运输编码 | NONH for all modes of transport |
WGK德国 | 3 |
海关编码 | 2906299090 |
海关编码 | 2906299090 |
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中文概述 | 2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% |
申报要素 | 品名, 成分含量, 用途 |
Summary | 2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
Preparation and evaluation of surface-bonded tricationic ionic liquid silica as stationary phases for high-performance liquid chromatography. J. Chromatogr. A. 1396 , 62-71, (2015)
Two tricationic ionic liquids were prepared and then bonded onto the surface of supporting silica materials through “thiol-ene” click chemistry as new stationary phases for high-performance liquid chr…
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Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids. Bioorg. Med. Chem. 18 , 28-35, (2010)
The applicability of the newly developed RM1 and PM6 methods implemented in the semiempirical quantum chemistry mopac2009 software package in modeling free radical scavenging activity of flavonoids wa…
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Functional characterization of an anthocyanidin reductase gene from the fibers of upland cotton (Gossypium hirsutum). Planta 241(5) , 1075-89, (2015)
Metabolic profiling, gene cloning, enzymatic analysis, ectopic expression, and gene silencing experiments demonstrate that the anthocyanidin reductase (ANR) pathway is involved in the biosynthesis of …
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3,4′,5,7-tetrahydroxy-2-phenylbenzopyrylium chloride |
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride |
2-(4-hydroxyphenyl)chromenylium-3,5,7-triol,chloride |
1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1) |
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chromenium chloride |
3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride |
Pelargonidin |
3,4′,5,7-Tetrahydroxyflavylium chloride |
EINECS 205-127-7 |
3,4′,5,7-Tetrahydroxyflavylium chloride |
MFCD00017589 |