5779-39-5 (D-去氧糖胺,D-xylo-Hexose,3,4,6-trideoxy-3-(dimethylamino)-)

快速询单

结构式：

D-去氧糖胺MOL文件

CAS号：

5779-39-5

中文名称：

D-去氧糖胺

英文名称：

D-xylo-Hexose,3,4,6-trideoxy-3-(dimethylamino)-

分子式：

C₈H₁₇NO₃

分子量：

175.225482702255

D-去氧糖胺(5779-39-5)名称与标识符

名称

中文别名：

D-去氧糖胺;

英文别名：

D-xylo-Hexose,3,4,6-trideoxy-3-(dimethylamino)-;(2R,3S,5R)-3-(dimethylamino)-2,5-dihydroxyhexanal;D-DESOSAMINE;desosamine;3,4,6-Trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranose;4-Dimethylaminotetrahydro-6-methylpyran-2,3-diol;Picrocine;D-xylo-Hexose, 3,4,6-trideoxy-3-(dimethylamino)-;3NR0662443;3,4,6-trideoxy-3-(dimethylamino)-d-xylo-hexose;UNII-3NR0662443;SCHEMBL136024;CHEBI:32540;3,4,6-trideoxy-3-dimethylamino-d-xylohexose;3,4,6-trideoxy-3-dimethylamino-D-xylo-hexose;Q5264872;5779-39-5;DTXSID90206478;VTJCSBJRQLZNHE-CSMHCCOUSA-N;PIKROCIN;DESOSAMINE [MI];

标识符

InChIKey：

VTJCSBJRQLZNHE-CSMHCCOUSA-N

Inchi：

1S/C8H17NO3/c1-6(11)4-7(9(2)3)8(12)5-10/h5-8,11-12H,4H2,1-3H3/t6-,7+,8+/m1/s1

SMILES：

O[C@@H](C=O)[C@H](C[C@@H](C)O)N(C)C

D-去氧糖胺(5779-39-5)物化性质

实验特性

折射率 : 1.509
沸点 : 275.5°Cat760mmHg
熔点 : 86-87°
闪点 : 120.4°C
密度 : 1.14

计算特性

精确分子量 : 175.121
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 175.121
重原子数量 : 12
复杂度 : 138
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 : 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） : -0.7
互变异构体数量 : 4
表面电荷 : 0
拓扑分子极性表面积 : 60.8A^2

D-去氧糖胺(5779-39-5)相关文献

1. A conformational exploration of the protonated and unprotonated macrolide antibiotic roxithromycin: comparative study by molecular dynamics and NMR spectroscopy in solution
Josyane Gharbi-Benarous,Patrick Ladam,Marcel Delaforge,Jean-Pierre Girault J. Chem. Soc. Perkin Trans. 2 1992 1989
2. Post-PKS tailoring steps in natural product-producing actinomycetes from the perspective of combinatorial biosynthesis
Carlos Olano,Carmen Méndez,José A. Salas Nat. Prod. Rep. 2010 27 571
3. Conformational analysis of major metabolites of macrolide antibiotics roxithromycin and erythromycin A with different biological properties by NMR spectroscopy and molecular dynamics
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4. Conformational analysis of major metabolites of macrolide antibiotics roxithromycin and erythromycin A with different biological properties by NMR spectroscopy and molecular dynamics
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5. Total synthesis of methymycin
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7. 950. Carbohydrate components of antibiotics. Part I. Degradation of desosamine by alkali: its absolute configuration at position 5
C. H. Bolton,A. B. Foster,M. Stacey,J. M. Webber J. Chem. Soc. 1961 4831
8. Modification of post-PKS tailoring steps through combinatorial biosynthesis
Uwe Rix,Carsten Fischer,Lily L. Remsing,Jürgen Rohr Nat. Prod. Rep. 2002 19 542
9. Type I polyketide biosynthesis in bacteria (Part A—erythromycin biosynthesis)
Bernard J. Rawlings Nat. Prod. Rep. 2001 18 190
10. The macrolide antibiotics
Martyn Berry Q. Rev. Chem. Soc. 1963 17 343