Cas no 6380-97-8 (4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-)
6380-97-8 structure
Product Name:4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-
CAS No:6380-97-8
MF:C6H8O4
MW:144.125322341919
CID:425702
PubChem ID:13879741
Update Time:2025-04-19
4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-
- 5-hydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
- 6380-97-8
- DTXSID30551797
- 5-Hydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-pyran-4-one
- 3-Hydroxy-6-(hydroxymethyl)-5,6-dihydro-4H-pyran-4-one
- 2-hydroxymethyl-5-hydroxy-2,3-dihydro-(4h)-pyran-4-one
- SCHEMBL3620421
- UNII-B2ZY3N0H3K
- 1,4-Dideoxy-D-glycero-1-enopyranos-3-ulode
- 2,3-Dihydro-5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
- ZXCYXCIWKAILMP-UHFFFAOYSA-N
- B2ZY3N0H3K
-
- Inchi： 1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h3-4,7,9H,1-2H2
- InChI Key： ZXCYXCIWKAILMP-UHFFFAOYSA-N
- SMILES： O1C=C(C(CC1CO)=O)O
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
6380-97-8 (4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-) Related Products
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