Cas no 137174-43-7 ((1R,2R)-1-(5-Methylfur-3-yl)propane-1,2,3-triol)
137174-43-7 structure
Product Name:(1R,2R)-1-(5-Methylfur-3-yl)propane-1,2,3-triol
CAS No:137174-43-7
MF:C8H12O4
MW:172.178483009338
CID:2016505
PubChem ID:15720326
Update Time:2025-04-21
(1R,2R)-1-(5-Methylfur-3-yl)propane-1,2,3-triol Chemical and Physical Properties
Names and Identifiers
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- (1R,2R)-1-(5-Methylfur-3-yl)propane-1,2,3-triol
- (1R,2R)-1-(5-Methylfuran-3-yl)propane-1,2,3-triol
- 137174-43-7
-
- Inchi： 1S/C8H12O4/c1-5-2-6(4-12-5)8(11)7(10)3-9/h2,4,7-11H,3H2,1H3
- InChI Key： LNQWSCLHWGILCZ-UHFFFAOYSA-N
- SMILES： CC1OC=C(C(C(CO)O)O)C=1
Computed Properties
- Exact Mass: 172.07355886Da
- Monoisotopic Mass: 172.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 139
- 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: -0.8
- Topological Polar Surface Area: 73.8?2
(1R,2R)-1-(5-Methylfur-3-yl)propane-1,2,3-triol Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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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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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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