20008-20-2 (1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物, )

快速询单

结构式：

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物MOL文件

CAS号：

20008-20-2

中文名称：

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物

英文名称：

分子式：

C₂₇H₄₈FeN₆O₉

分子量：

656.549828529358

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物(20008-20-2)名称与标识符

名称

中文别名：

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物;

英文别名：

FERRIOXAMIN E;iron(3+),1,12,23-trioxido-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone;

标识符

MDL：

MFCD07785179

InChIKey：

MZFKJKOHYACYNT-UHFFFAOYSA-N

Inchi：

InChI=1S/C27H45N6O9.Fe/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22;/h1-21H2,(H,28,34)(H,29,35)(H,30,36);/q-3;+3

SMILES：

O=C1CCC2=[O][Fe]3456ON2CCCCCNC(=O)CCC(=[O]3)N(CCCCCNC(=O)CCC(=[O]4)N(CCCCCN1)O5)O6 |t:4,20,34|

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物(20008-20-2)物化性质

实验特性

PSA : 217.41

计算特性

精确分子量 : 651.26465
氢键供体数量 : 3
氢键受体数量 : 9
重原子数量 : 43
疏水参数计算参考值（XlogP） : -0.549

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物(20008-20-2)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： 10-21

1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物(20008-20-2)相关文献

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7. Degradation of mirubactin to multiple siderophores with varying Fe(iii) chelation properties
Hong Pu,Ting Jiang,Dian Peng,Juanjuan Xia,Juan Gao,Yeji Wang,Xiaohui Yan,Xueshuang Huang,Yanwen Duan,Yong Huang Org. Biomol. Chem. 2022 20 5066
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9. Fungal siderophore metabolism with a focus on Aspergillus fumigatus
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20008-20-2 (1,12,23-三羟基-1,6,12,17,23,28-六氮杂环三十三烷-2,5,13,16,24,27-异己酮铁(III) 络合物,&nbsp;)