Cas no 57538-80-4 (1-deoxy-D-threo-hexo-2,5-diulose)
57538-80-4 structure
Product Name:1-deoxy-D-threo-hexo-2,5-diulose
CAS No:57538-80-4
MF:C6H10O5
MW:162.140602588654
CID:1604885
PubChem ID:151776
Update Time:2025-04-21
1-deoxy-D-threo-hexo-2,5-diulose Chemical and Physical Properties
Names and Identifiers
-
- 1-deoxy-D-threo-hexo-2,5-diulose
- SCHEMBL7709113
- (3S,4S)-1,3,4-trihydroxyhexane-2,5-dione
- Q27269331
- 1-Deoxyhexo-2,5-diulose
- 82F7C8GFEP
- UNII-82F7C8GFEP
- 57538-80-4
- DTXSID90973072
- D-threo-2,5-Hexodiulose, 1-deoxy-
-
- Inchi： 1S/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h5-7,10-11H,2H2,1H3/t5-,6-/m1/s1
- InChI Key： KFHNTUHHTDAEOF-PHDIDXHHSA-N
- SMILES： O[C@H](C(CO)=O)[C@@H](C(C)=O)O
Computed Properties
- Exact Mass: 162.053
- Monoisotopic Mass: 162.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- Density: 1.408
- Boiling Point: 432.6°C at 760 mmHg
- Flash Point: 229.6°C
- Refractive Index: 1.51
1-deoxy-D-threo-hexo-2,5-diulose Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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