30104-32-6 (D-吡喃葡萄糖胺,D-Glucopyranosylamine)

快速询单

结构式：

D-吡喃葡萄糖胺MOL文件

CAS号：

30104-32-6

中文名称：

D-吡喃葡萄糖胺

英文名称：

D-Glucopyranosylamine

分子式：

C₆H₁₃NO₅

分子量：

179.171122312546

D-吡喃葡萄糖胺(30104-32-6)名称与标识符

名称

英文别名：

D-Glucopyranosylamine;1-Aminoglucose;Glucosylamine(7CI);SCHEMBL246189;glucosylamine;DTXSID001314933;30104-32-6;D-Glucosylamine;

标识符

InChIKey：

WCWOEQFAYSXBRK-GASJEMHNSA-N

Inchi：

1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1

SMILES：

O1C([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)N

D-吡喃葡萄糖胺(30104-32-6)物化性质

实验特性

沸点 : 416.4°Cat760mmHg
闪点 : 205.6°C
密度 : 1.563

计算特性

精确分子量 : 179.079
氢键供体数量 : 5
氢键受体数量 : 6
可旋转化学键数量 : 1
同位素质量 : 179.079
重原子数量 : 12
复杂度 : 155
同位素原子数量 : 0
确定原子立构中心数量 : 4
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） : -2.8
拓扑分子极性表面积 : 116Å²

D-吡喃葡萄糖胺(30104-32-6)相关文献

1. N-Acyl-β-D-glycopyranosylamines containing 1,4-disubstituted cyclohexyl and phenyl rings: mesomorphism and molecular structure relationships
David F. Ewing,Mandy Glew,John W. Goodby,Julie A. Haley,Stephen M. Kelly,Bernd U. Komanschek,Philippe Letellier,Graham Mackenzie,Georg H. Mehl J. Mater. Chem. 1998 8 871
2. Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(ii) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-d-glucopyranosylamine: structural aspects and data correlations
Gudneppanavar Rajsekhar,Ajay K. Sah,Chebrolu P. Rao,Philippe Guionneau,Muktha Bharathy,T. N. GuruRow Dalton Trans. 2003 3126
3. Synthesis, characterization and gelation studies of a novel class of rhodamine based N-glycosylamines
Mani Rajasekar,Thangamuthu Mohan Das RSC Adv. 2014 4 30976
4. The synthesis of amino acid derived glycoconjugates and the investigation of their anti-inflammatory and analgesic properties
Kiran Soni,Ajay K. Sah RSC Adv. 2014 4 6068
5. Acid catalysis in the mutarotation of N-(p-chlorophenyl)-β-D-glucopyranosylamine in methanolic medium
Kazimiera Smiataczowa J. Chem. Soc. Perkin Trans. 2 1989 1593
6. Novel saccharide–pyridine based gelators: selective gelation and diversity in superstructures
K. Karthik Kumar,M. Elango,V. Subramanian,T. Mohan Das New J. Chem. 2009 33 1570
7. Trinuclear coordinatively labile Cu(ii) complex of 4,6-O-ethylidene-β-d-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines
Ajay K. Sah,Merii Kato,Tomoaki Tanase ligand and its reactivity towards primary alcohols and amines. Ajay K. Sah Merii Kato Tomoaki Tanase Chem. Commun. 2005 675
8. 551. Chemical studies in the biosynthesis of purine nucleotides. Part I. The preparation of N-glycylglycosylamines
J. Baddiley,J. G. Buchanan,R. E. Handschumacher,J. F. Prescott J. Chem. Soc. 1956 2818
9. Hexamethylene-1,6-bis(N-d-glucopyranosylamine) as a novel corrosion inhibitor for oil and gas industry: electrochemical and computational analysis
I. B. Onyeachu,D. S. Chauhan,K. R. Ansari,I. B. Obot,M. A. Quraishi,Aeshah H. Alamri New J. Chem. 2019 43 7282
10. 958. Synthetic studies relating to the carbohydrate–protein linkage in egg albumin
G. S. Marks,A. Neuberger J. Chem. Soc. 1961 4872