77252-38-1 (2-脱氧-d-葡萄糖-[1,2-3H-(n)],D-arabino-Hexose-1,2-C-t2,2-deoxy- (9CI))

快速询单

结构式：

2-脱氧-d-葡萄糖-[1,2-3H-(n)]MOL文件

CAS号：

77252-38-1

中文名称：

2-脱氧-d-葡萄糖-[1,2-3H-(n)]

英文名称：

D-arabino-Hexose-1,2-C-t2,2-deoxy- (9CI)

分子式：

C₆H₁₂O₅

分子量：

170.180810689926

2-脱氧-d-葡萄糖-[1,2-3H-(n)](77252-38-1)名称与标识符

名称

中文别名：

2-脱氧-D-阿拉伯糖己糖-1,2-C-T2;2-脱氧-d-葡萄糖-[1,2-3H-(n)];

英文别名：

D-arabino-Hexose-1,2-C-t2,2-deoxy- (9CI);2-deoxy-D-glucose-(1,2-3H(N)) aqueous*solution;77252-38-1;2-Deoxy-D-glucose-[1,2,3H(N)];

标识符

InChIKey：

PMMURAAUARKVCB-LAACTLPNSA-N

Inchi：

1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i1T2,9T

SMILES：

O1C(C([3H])([3H])[C@H]([C@@H]([C@H]1CO)O)O)O[3H]

2-脱氧-d-葡萄糖-[1,2-3H-(n)](77252-38-1)物化性质

实验特性

LogP : -2.19220
PSA : 90.15000

计算特性

精确分子量 : 170.093
氢键供体数量 : 4
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 170.093
重原子数量 : 11
复杂度 : 128
同位素原子数量 : 3
确定原子立构中心数量 : 3
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） : -1.6
拓扑分子极性表面积 : 90.2A^2

2-脱氧-d-葡萄糖-[1,2-3H-(n)](77252-38-1)安全信息

WGK Germany： 1
安全术语： 16
安全说明： 16
风险术语： 11
危险品标志： F
危险品运输编号： UN 2910 7
储存条件： 2-8°C
危险类别码： 11

2-脱氧-d-葡萄糖-[1,2-3H-(n)](77252-38-1)相关文献

1. Metal chelation by the common 2-amino-2-deoxy-, 2-N-acetylamino-2-deoxy-, and 2-deoxy-hexoses
Thomas Schwarz,David He?,Peter Klüfers Dalton Trans. 2010 39 5544
2. Synthesis of S-linked thiooligosaccharide analogues of Nod factors. Part 1: selectively N-protected 4-thiochitobiose precursors
France-Isabelle Auzanneau,Khalil Bennis,Elisabeth Fanton,Danielle Promé,Jacques Defaye,Jacques Gelas J. Chem. Soc. Perkin Trans. 1 1998 3629
3. The synthesis of rare earth metal-doped upconversion nanoparticles coated with d-glucose or 2-deoxy-d-glucose and their evaluation for diagnosis and therapy in cancer
K. Shitaljit Sharma,Maikho Thoh,Akhil K. Dubey,Prasad P. Phadnis,Deepak Sharma,Santosh K. Sandur,Rajesh K. Vatsa New J. Chem. 2020 44 13834
4. Analysis of metabonomic profiling alterations in a mouse model of colitis-associated cancer and 2-deoxy-d-glucose treatment
Peng Yang,Zongwei Li,Lichao Zhang,Hanqing Li,Zhuoyu Li RSC Adv. 2016 6 58862
5. X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution
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6. N-Linked carba-disaccharides as potential inhibitors of glucosidases I and II
Ivone Carvalho,Alan H. Haines J. Chem. Soc. Perkin Trans. 1 1999 1795
7. 598. Deoxy-sugars. Part VII. A study of the reactions of some derivatives of 2-deoxy-D-glucose
W. G. Overend,M. Stacey,J. Staněk J. Chem. Soc. 1949 2841
8. Biosynthesis of natural and non-natural genistein glycosides
Prakash Parajuli,Ramesh Prasad Pandey,Trang Thi Huyen Nguyen,Biplav Shrestha,Tokutaro Yamaguchi,Jae Kyung Sohng RSC Adv. 2017 7 16217
9. Glucose conjugation for the specific targeting and treatment of cancer
Emilia C. Calvaresi,Paul J. Hergenrother Chem. Sci. 2013 4 2319
10. Synthesis and behaviour under acidic conditions of 2-deoxy-D-arabino-hexopyranose and 3-deoxy-2-ketoaldonic acids bearing O-phosphono or O-glucosyl substituents at position β to the carbonyl function
Alain Danan,Michelle Mondange,S. Robert Sarfati,Patricia Szabó J. Chem. Soc. Perkin Trans. 1 1982 1275

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