66521-20-8 ((Multicolanic acid)

快速询单

结构式：

Multicolanic acidMOL文件

CAS号：

66521-20-8

英文名称：

Multicolanic acid

分子式：

C₁₁H₁₄O₅

分子量：

226.225863933563

Multicolanic acid(66521-20-8)名称与标识符

名称

英文别名：

Multicolanic acid;[(2E)-3-Hydroxy-5-oxo-4-pentyl-2,5-dihydrofuran-2-ylidene]acetic acid;VA588FVM6S;66521-20-8;UNII-VA588FVM6S;(2E)-2-(3-Hydroxy-5-oxo-4-pentyl-2-furylidene)acetic acid;Acetic acid, (3-hydroxy-5-oxo-4-pentyl-2(5H)-furanylidene)-, (E)-;Q27896690;

标识符

InChIKey：

IZLIRBKYKYMRPY-SOFGYWHQSA-N

Inchi：

1S/C11H14O5/c1-2-3-4-5-7-10(14)8(6-9(12)13)16-11(7)15/h6,14H,2-5H2,1H3,(H,12,13)/b8-6+

SMILES：

O1/C(=C/C(=O)O)/C(=C(C1=O)CCCCC)O

Multicolanic acid(66521-20-8)物化性质

计算特性

精确分子量 : 226.084
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 226.084
重原子数量 : 16
复杂度 : 365
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 : 1
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） : 1.8
拓扑分子极性表面积 : 83.8A^2

Multicolanic acid(66521-20-8)相关文献

1. Dioxolanones as synthetic intermediates. Part 4. Biomimetic synthesis of multicolanic acid
Robert Ramage,Patrick P. McCleery J. Chem. Soc. Perkin Trans. 1 1984 1555
2. Synthesis of 4-substituted tetronic acids: multicolanic acid
Stephen C. M. Fell,Jennifer Heaps,John S. E. Holker J. Chem. Soc. Chem. Commun. 1979 81
3. Structure and stereochemistry of multicolanic, multicolic, and multicolosic acids, 4-ylidenetetronic acid metabolites from Penicillium multicolor. Synthesis of methyl (E)-O-methylmulticolanate
David R. Gedge,Gerald Pattenden J. Chem. Soc. Perkin Trans. 1 1979 89
4. Index pages
J. Chem. Soc. Perkin Trans. 1 1984 A003
5. Biosynthesis of multicolosic acid, a polyketide metabolite from Penicillium multicolor: occurrence of large 18O-induced β-isotope shifts in 13C n.m.r. spectra
John S. E. Holker,Miyuki Kaneda,Shawn E. Ramer,John C. Vederas J. Chem. Soc. Chem. Commun. 1987 1099
6. Total synthesis and stereostructure of methyl (E)-O-methylmulticolanate, a 4-ylidenetetronic acid from Penicillium multicolor
Michael J. Begley,David R. Gedge,Gerald Pattenden J. Chem. Soc. Chem. Commun. 1978 60
7. Ylidenebutenolide mycotoxins. Concise syntheses of patulin and neopatulin from carbohydrate precursors
Mandy Bennett,G. Byron Gill,Gerald Pattenden,Anthony J. Shuker,Alan Stapleton J. Chem. Soc. Perkin Trans. 1 1991 929
8. Synthetic approaches towards 4-ylidenebutenolides and 4-ylidenetetronic acids. Regioselective nucleophilic additions to unsymmetrically substituted maleic anhydrides
David W. Knight,Gerald Pattenden J. Chem. Soc. Perkin Trans. 1 1979 62
9. Index pages
Nat. Prod. Rep. 1984 1 I1
10. Index pages
Nat. Prod. Rep. 1987 4 I1