Cas no 6917-83-5 (4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-2,3(4H)-dione (non-preferred name))
6917-83-5 structure
Product Name:4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-2,3(4H)-dione (non-preferred name)
CAS No:6917-83-5
MF:C6H8O6
MW:176.124122619629
CID:1736506
PubChem ID:5229251
Update Time:2025-04-21
4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-2,3(4H)-dione (non-preferred name) Chemical and Physical Properties
Names and Identifiers
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- 4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-2,3(4H)-dione (non-preferred name)
- 4,5-dihydroxy-6-(hydroxymethyl)oxane-2,3-dione
- DTXSID60411673
- 6917-83-5
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- Inchi： 1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-9H,1H2
- InChI Key： JOGPHXUZRSLSAS-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CO)O)O)=O)=O
Computed Properties
- Exact Mass: 176.03204
- Monoisotopic Mass: 176.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 104.06
4,5-dihydroxy-6-(hydroxymethyl)dihydro-2H-pyran-2,3(4H)-dione (non-preferred name) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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