Cas no 36675-91-9 (1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione)
36675-91-9 structure
Product Name:1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione
CAS No:36675-91-9
MF:C9H12N2O7
MW:260.200782775879
CID:2631211
PubChem ID:252131
Update Time:2025-04-21
1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione Chemical and Physical Properties
Names and Identifiers
-
- 1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione
- 36675-91-9
- 4-Hydroxy-1-pentofuranosyl-1,6-dihydropyrimidine-2,5-dione
- NSC-73376
- DTXSID00957924
-
- Inchi： 1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h4-6,8,12,14-15H,1-2H2,(H,10,16,17)
- InChI Key： MOSMSZLADBRURI-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C(NC(C(C1)=O)=O)=O)O)O
Computed Properties
- Exact Mass: 260.06445073Da
- Monoisotopic Mass: 260.06445073Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 398
- 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
- XLogP3: -2.5
- Topological Polar Surface Area: 136?2
1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
36675-91-9 (1-pentofuranosyldihydropyrimidine-2,4,5(3H)-trione) Related Products
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