Cas no 81577-69-7 (1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)-)
81577-69-7 structure
Product Name:1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)-
CAS No:81577-69-7
MF:C11H12O4
MW:208.210583686829
CID:703673
PubChem ID:13418192
Update Time:2025-04-19
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)-
- (2R,4R,5R)-5-Hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
- DTXSID40540192
- 81577-69-7
- SCHEMBL23591900
-
- Inchi： 1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2/t9-,10+,11-/m1/s1
- InChI Key： WGXOIVORNNWRAD-OUAUKWLOSA-N
- SMILES： O1[C@H](C2C=CC=CC=2)OC[C@H]([C@@H]1C=O)O
Computed Properties
- Exact Mass: 208.07355886g/mol
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 55.8?2
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-, (2R,4R,5R)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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