132594-09-3 (3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one,3,7-Dihydroxy-3',4',5'-trimethoxyflavone)

CAS号:
132594-09-3
中文名称:
3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
英文名称:
3,7-Dihydroxy-3',4',5'-trimethoxyflavone
分子式:
C18H16O7
分子量:
344.315445899963

3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one(132594-09-3)名称与标识符

名称

中文别名:
3,7-二羟基-3',4',5'-三甲黄酮;3-(氮-乙酰基-4-羟基丙酰氧基)丙基三乙氧基硅烷;3,7-二羟基-3',4',5'-三甲氧基黄酮;3,7-二羟基-2-(3,4,5-三甲氧基苯基)-4H-1-苯并吡喃-4-酮;3,7-DIHYDROXY--3′,4′,5′-TRIMETHOXYFLAVONE 3,7-二羟基-3',4',5'-三甲氧基黄酮;
英文别名:
3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one;Neu-Methylenblau n;3,7-Dihydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-on;CI 52030;New methylene Blue N, pure;3,7-Bis-aethylamino-2,8-dimethyl-phenothiazinylium, Chlorid;CI NO 52030;3,7-Dihydroxy-3',4',5'-trimethoxy flavone;3,7-DH-3',4',5'-TMOF;New Methylene Blue N (Basic Blue 24);Robinetin trimethyl ether;NEW METHYLENE BLUE;3,7-dihydroxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one;3,7-bis-ethylamino-2,8-dimethyl-phenothiazinylium, chloride;NEW METHYLENE BLUE, N BRECHER;METHYLENE BLUE N;3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride;New methylene Blue N solution;3,7-bis-ethylamino-2,8-dimethyl-phenothiaziny;3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one;3,7-DIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE;CHEMBL1801020;DTXSID401347275;CHEBI:181467;SCHEMBL4649883;3,7,3',4',5'-Pentahydroxyflavone; NSC 407331; NSC 656274; Norkanugin;KBio2_004810;NS00116362;KBio1_001698;KBio2_002242;Spectrum4_001273;KBio2_007378;KBioSS_002243;KBioGR_001886;SpecPlus_000658;132594-09-3;DivK1c_006754;3,7-dihydroxy-3',4',5'-trimethoxyflavone, AldrichCPR;3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one;Spectrum_001762;Spectrum5_001682;Q63397964;

标识符

InChIKey:
NJNGYVOYOVPWBB-UHFFFAOYSA-N
Inchi:
1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3
SMILES:
O1C2C=C(C=CC=2C(C(=C1C1C=C(C(=C(C=1)OC)OC)OC)O)=O)O

3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one(132594-09-3)物化性质

实验特性

  • PSA : 94.45
  • 熔点 : 210-211 ºC
  • 溶解度 : 几乎不溶 (0.013 g/L) (25 ºC),
  • 密度 : 1.407±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 344.08958
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 4
  • 同位素质量 : 344.08960285g/mol
  • 重原子数量 : 25
  • 复杂度 : 518
  • 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
  • 疏水参数计算参考值(XlogP) : 2.6
  • 拓扑分子极性表面积 : 94.4Ų

3,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one(132594-09-3)安全信息

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