74182-37-9 ((D-Galactose-1-C-t (9CI))

快速询单

结构式：

D-Galactose-1-C-t (9CI)MOL文件

CAS号：

74182-37-9

英文名称：

D-Galactose-1-C-t (9CI)

分子式：

C₆H₁₂O₆

分子量：

182.163992166519

D-Galactose-1-C-t (9CI)(74182-37-9)名称与标识符

名称

英文别名：

D-Galactose-1-C-t (9CI);Galactose-1-t,D- (6CI,7CI);GALACTOSE, D-, [1-3H(N)];74182-37-9;Galactose,d-,[1-3h(N)];(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-1-tritiohexan-1-one;

标识符

InChIKey：

GZCGUPFRVQAUEE-MRKMCXJRSA-N

Inchi：

1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1/i1T

SMILES：

O[C@@H]([C@@H](CO)O)[C@@H]([C@H](C([3H])=O)O)O

D-Galactose-1-C-t (9CI)(74182-37-9)物化性质

实验特性

LogP : -3.37880
PSA : 118.22000

计算特性

精确分子量 : 182.07161235g/mol
氢键供体数量 : 5
氢键受体数量 : 6
可旋转化学键数量 : 5
同位素质量 : 182.07161235g/mol
重原子数量 : 12
复杂度 : 138
同位素原子数量 : 1
确定原子立构中心数量 : 4
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） : -2.9
拓扑分子极性表面积 : 118Å²

D-Galactose-1-C-t (9CI)(74182-37-9)相关文献

1. Chlorogenic acid combined with epigallocatechin-3-gallate mitigates d-galactose-induced gut aging in mice
Ran Wei,Zhucheng Su,Gerardo G. Mackenzie Food Funct. 2023 14 2684
2. Non-stoichiometric formation of formic and levulinic acids from the hydrolysis of biomass derived hexose carbohydrates
T. Flannelly,M. Lopes,L. Kupiainen,S. Dooley,J. J. Leahy RSC Adv. 2016 6 5797
3. Carbohydrate phosphates. Part I. Synthesis of derivatives of some aldehydo-sugar phosphates
J. L. Barclay,A. B. Foster,W. G. Overend J. Chem. Soc. 1955 2505
4. 165. Studies on agar-agar. Part III. Isolation of hepta-acetyl dl-galactose from 3 : 6-anhydro-β-methyl-d-galactoside
T. L. Cottrell,E. G. V. Percival J. Chem. Soc. 1942 749
5. Controlled aggregation of adenine by sugars: physicochemical studies, molecular modelling simulations of sugar–aromatic CH–π stacking interactions, and biological significance
Marc Maresca,Adel Derghal,Céline Carravagna,Séverine Dudin,Jacques Fantini Phys. Chem. Chem. Phys. 2008 10 2792
6. Organic chemistry
F. S. Spring,L. N. Owen,E. R. H. Jones,H. T. Openshaw Annu. Rep. Prog. Chem. 1943 40 98
7. Characterizing serum metabolic alterations of Alzheimer's disease and intervention of Shengmai-San by ultra-performance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry
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8. Recent progress in the chemistry of the pectic materials and plant gums
E. L. Hirst J. Chem. Soc. 1942 70
9. The Occurrence and significance of the pentose sugars in nature, and their relationship to the hexoses
E. L. Hirst J. Chem. Soc. 1949 522
10. Deoxy-sugars. Part XXV. Structure and reactivity of anhydro-sugars. Part II. Derivatives of 3 : 6-anhydro-D-mannose, 3 : 6-anhydro-2-deoxy-D-galactose, and 3 : 6-anhydro-2-deoxy-D-glucose
A. B. Foster,W. G. Overend,M. Stacey,G. Vaughan J. Chem. Soc. 1954 3367

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