Cas no 54910-68-8 (3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one)
54910-68-8 structure
Product Name:3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
- SB45667
- 54910-68-8
- D-Glucono-.delta.-lactone
- D-Gluconic acid-1,5-lactone
- FT-0608113
- 7506-65-2
- DTXSID20859158
- CHEBI:74105
- Gluconic .delta.-lactone
- 52393-78-9
- NCGC00095002-01
- 3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-one
- D-Gluconic acid, .delta.-lactone
- D-glucono-delta-lactone
- 9A619B74-0102-4BA8-8133-87EB9FA4AEC6
- VS-09144
- 1-Desoxyhexoson
- D-Gluconic acid, delta-lactone
- EN300-189501
- NS00006459
- Q27144414
- 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-one (non-preferred name)
- FT-0626724
- D-Gluconic .delta.-lactone
- SCHEMBL24637666
- D-.delta.-Gluconolactone
- NSC407014
- NSC 34393
- an aldono-1,5-lactone
- Gluconic acid-1,5-lactone
- SCHEMBL333412
- D-(+)-Gluconic acid-.delta. lactone
- AKOS004119900
- NSC-407014
- Gluconic acid, .delta.-lactone, D-
- FT-0777779
- Oprea1_179629
- glucono-.delta.-lactone
- NCGC00095002-03
- delta-D-Mannonolactone
- Galactonic acid, 8CI,
- NCGC00095002-02
- NSC34393
- .delta.-Gluconolactone
- Aldono-1,5-lactone
- 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)
- BBL029193
- STL146330
-
- Inchi： 1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2
- InChI Key： PHOQVHQSTUBQQK-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CO)O)O)O)=O
Computed Properties
- Exact Mass: 178.0477
- Monoisotopic Mass: 178.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 107A^2
- XLogP3: -2
Experimental Properties
- Density: 1.721 g/cm3
- Melting Point: 155oC /decomposes/
- Boiling Point: 446.417oC at 760 mmHg
- Flash Point: 192.294oC
- PSA: 107.22
- LogP: -3.01320
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
54910-68-8 (3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one) Related Products
- 90-80-2(D-(+)-Glucono-1,5-lactone)
- 87-92-3((2R,3R)-Dibutyl 2,3-dihydroxysuccinate)
- 87-91-2((+)-Diethyl L-tartrate)
- 13811-71-7(Diethyl D-(-)-Tartrate)
- 7554-12-3(Diethyl DL-Malate)
- 62961-64-2(D-(-)-Diisopropyl Tartrate)
- 1128-23-0(L-Gulono-1,4-lactone)
- 2217-15-4((+)-Diisopropyl L-Tartrate)
- 7554-28-1(Diethyl D-Malate)
- 691-84-9(Diethyl L-(-)-Malate)
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