16975-93-2 (2-（3,4-二羟基苯基）-5,7-二羟基苯基铬,2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chromenylium)

快速询单

结构式：

2-（3,4-二羟基苯基）-5,7-二羟基苯基铬MOL文件

CAS号：

16975-93-2

中文名称：

2-（3,4-二羟基苯基）-5,7-二羟基苯基铬

英文名称：

2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chromenylium

分子式：

C₁₅H₁₁O₅

分子量：

271.244844675064

植物源：

红鞘草黄背草孔颖草纤细苞茅

2-（3,4-二羟基苯基）-5,7-二羟基苯基铬(16975-93-2)名称与标识符

名称

英文别名：

2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chromenylium;5.7.3'.4'-Tetrahydroxyflavylium;5.7.3.4'-Tetrahydroxyflavylium;Lukolinidin;Luteolidin;5,7,3',4'-Tetrahydroxyflavylium;luteolinidin;BDBM50347144;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1$l^{4}-chromen-1-ylium;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium(1+), 9CI;2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium;2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol;Q3062931;NCI60_033512;Luteolinidin cation;935OS7WHP6;C08652;NSC693578;CHEMBL1275834;CHEBI:6584;16975-93-2;UNII-935OS7WHP6;Luteolinidin ion;SCHEMBL676808;1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;601-367-5;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1$l^(4)-chromen-1-ylium;DTXCID301767018;DTXSID20921728;

标识符

InChIKey：

GDNIGMNXEKGFIP-UHFFFAOYSA-O

Inchi：

1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1

SMILES：

[O+]1C(=CC=C2C(=CC(=CC=12)O)O)C1C=CC(=C(C=1)O)O

2-（3,4-二羟基苯基）-5,7-二羟基苯基铬(16975-93-2)物化性质

计算特性

精确分子量 : 271.06064845g/mol
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 271.06064845g/mol
重原子数量 : 20
复杂度 : 336
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
拓扑分子极性表面积 : 81.9Å²

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