Cas no 29745-56-0 (2,4,6(3H)-Pteridinetrione,1,5,7,8-tetrahydro-)
29745-56-0 structure
Product Name:2,4,6(3H)-Pteridinetrione,1,5,7,8-tetrahydro-
CAS No:29745-56-0
MF:C6H6N4O3
MW:182.136840343475
CID:261735
PubChem ID:169078
Update Time:2025-04-19
2,4,6(3H)-Pteridinetrione,1,5,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(3H)-Pteridinetrione,1,5,7,8-tetrahydro-
- 1,5,7,8-tetrahydropteridine-2,4,6-trione
- 6-HYDROXY-7,8-DIHYDROLUMAZINE
- 7,8-Dihydro-6-hydroxylumazine
- 2,4,6(3H)-Pteridinetrione, 1,5,7,8-tetrahydro-
- DTXSID70183899
- SCHEMBL11103297
- 29745-56-0
-
- Inchi： 1S/C6H6N4O3/c11-2-1-7-4-3(8-2)5(12)10-6(13)9-4/h1H2,(H,8,11)(H3,7,9,10,12,13)
- InChI Key： XBQISFWWQWPDSV-UHFFFAOYSA-N
- SMILES： O=C1CNC2=C(C(NC(N2)=O)=O)N1
Computed Properties
- Exact Mass: 182.044
- Monoisotopic Mass: 182.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.6
- Topological Polar Surface Area: 99.3?2
Experimental Properties
- Density: 1.71
- Refractive Index: 1.68
2,4,6(3H)-Pteridinetrione,1,5,7,8-tetrahydro- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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