Cas no 73698-45-0 (D-arabino-Hexose,2-deoxy-, labeled with tritium (9CI))
73698-45-0 structure
Product Name:D-arabino-Hexose,2-deoxy-, labeled with tritium (9CI)
CAS No:73698-45-0
MF:C6H12O5
MW:166.164592027664
CID:553805
PubChem ID:169855
Update Time:2025-04-19
D-arabino-Hexose,2-deoxy-, labeled with tritium (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-arabino-Hexose,2-deoxy-, labeled with tritium (9CI)
- 2-deoxy-D-glucose-(3H(G)) aqueous*solution
- 2-DEOXY-D-GLUCOSE, [3H(G)]
- 73698-45-0
- 2-Deoxy-d-glucose,[3h(g)]
-
- Inchi： 1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i1T/t1?,4-,5-,6+
- InChI Key： VRYALKFFQXWPIH-RANCGNPWSA-N
- SMILES： O[C@H]([C@@H](CO)O)[C@@H](C([3H])C=O)O
Computed Properties
- Exact Mass: 166.077
- Monoisotopic Mass: 166.077
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.9
- Topological Polar Surface Area: 98?2
Experimental Properties
- Boiling Point: 456.7°Cat760mmHg
- Flash Point: 244.1°C
- PSA: 97.99000
- LogP: -2.34960
D-arabino-Hexose,2-deoxy-, labeled with tritium (9CI) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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