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金缕梅丹宁 | 469-32-9

金缕梅丹宁结构式图片|469-32-9结构式图片
金缕梅丹宁
Hamamelitannin
469-32-9
C20H20O14
484.3644
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:金缕梅丹宁结构式
44584241
金缕梅丹宁价格
简介
Hamamelitannin 是从 Hamamelis virginiana 树皮中提取的多酚,是一种群体感应 (QS) 抑制剂。Hamamelitannin 通过影响肽聚糖生物合成和 eDNA 释放增加金黄色葡萄球菌生物膜的抗生素敏感性。
名称和标识符
MDL MFCD33023081
InChIKey FEPAFOYQTIEEIS-UHFFFAOYSA-N
Inchi 1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2
SMILES O1C([H])(C(C([H])([H])OC(C2C([H])=C(C(=C(C=2[H])O[H])O[H])O[H])=O)(C([H])(C1([H])C([H])([H])OC(C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])=O)O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 金缕梅提取物
  • 金缕梅丹宁酸
  • 金缕梅单宁
  • zzstandard 品牌 金缕梅单宁对照品
  • 金缕梅丹宁
- 英文别名 -
  • D-Ribose,2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 5-(3,4,5-trihydroxybenzoate)
  • Root of Chinese Witchhazel
  • HAMAMELITANNIN(P)
  • HAMAMELITANNIN
  • 2,3-Digalloylglucose
  • 2',5-DigalloylhaMaMelofuranose
  • 2',5-digalloylhamamelose
  • hamamelitanin
  • HAMAMELOFURANOSE 2',5-DIGALLATE
  • O5-Galloyl-2-galloyloxymethyl-D-ribose
  • 2-C-(Hydroxymethyl)-D-ribofuranose 2′,5-digallate
  • Hamamelofuranose 2′,5-digallate
  • NSC77009
  • [3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • (2,3,4-trihydroxy-5-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxolan-3-yl)methyl 3,4,5-trihydroxybenzoate
  • Hamamelitannin
  • ((2S,3S,4S)-3,4,5-trihydroxytetrahydrofuran-2,4-diyl)bis(methylene) bis(3,4,5-trihydroxybenzoate)
  • 2',5-Digalloylhamamelofuranose
  • MFCD33023081
  • 469-32-9
  • CHEBI:191119
  • Q15632711
  • Hamamelofuranose 2'5'-digallate
  • Hamamelofuranose2,5-digallate
  • [(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • CHEMBL465414
  • FS-7252
  • DTXSID10963692
  • FT-0632174
  • 5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}pentose
  • EINECS 207-416-3
  • Gallic acid, 21,5-diester with 2-C-(hydroxymethyl)-D-ribose
  • NS00043231
  • HAMAMELITANNIN [MI]
  • 2-C-((Galloyloxy)methyl)-D-ribose 5-gallate
  • 2',5-DI-O-GALLOYL-D-HAMAMELOSE
  • hamamelitannin (open form)
  • CS-0032127
  • UNII-Z4320A2K26
  • HY-N4117
  • Q27294967
  • Z4320A2K26
  • AKOS040760441
  • D-RIBOSE, 2-C-(((3,4,5-TRIHYDROXYBENZOYL)OXY)METHYL)-, 5-(3,4,5-TRIHYDROXYBENZOATE)
  • 2',5'-Di-O-galloyl D-hamamelose
  • 2',5'-Di-O-galloyl D-hamamelose
  • [(2R,3R,4R)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2R,3R,4R)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate
  • Hamamelofuranose 2',5-digallate
  • Hamamelofuranose 2',5-digallate
  • Hamamelitannin, >=98.0% (HPLC)
  • Hamamelitannin, >=98.0% (HPLC)
  • SCHEMBL934789
  • SCHEMBL934789
  • CHEMBL491592
  • CHEMBL491592
  • A827115
  • A827115
  • 2-C-(Hydroxymethyl)-D-ribofuranose 2',5-digallate
  • 2-C-(Hydroxymethyl)-D-ribofuranose 2',5-digallate
  • BDBM50259992
  • BDBM50259992
  • [(2R,3R,4R)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2R,3R,4R)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • SCHEMBL14339420
  • SCHEMBL14339420
  • NSC-77009
  • NSC-77009
物化性质
实验特性
LogP -1.25680
PSA 243.90000
折射率 1.745
沸点 947.5°Cat760mmHg
熔点 145-147 ºC
闪点 331°C
溶解度 微溶 (6.3 g/L) (25 ºC),
比旋光度 D19 +32.6° (c = 1.5)
密度 1.771±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 484.08500
氢键供体数量 9
氢键受体数量 14
可旋转化学键数量 8
同位素质量 484.08530531 g/mol
重原子数量 34
复杂度 710
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 1
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) -1.1
拓扑分子极性表面积 244
分子量 484.4
安全信息
WGK Germany 3
危险品运输编号 NONH for all modes of transport
储存条件 2-8°C
FLUKA BRAND F CODES 3-10-21
国际标准相关数据
EINECS 207-416-3
相关文献
专业数据库参考
PubChemId 44584241
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