Cas no 57076-70-7 (1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)-)
57076-70-7 structure
Product Name:1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)-
CAS No:57076-70-7
MF:C17H26N4O3
MW:334.413343906403
CID:346548
PubChem ID:20568875
Update Time:2025-04-19
1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)-
- 7-(5-oxohexyl)-1,3-di(propan-2-yl)purine-2,6-dione
- DTXSID60608824
- SCHEMBL11359942
- 57076-70-7
- 7-(5-Oxohexyl)-1,3-di(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
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- Inchi： 1S/C17H26N4O3/c1-11(2)20-15-14(16(23)21(12(3)4)17(20)24)19(10-18-15)9-7-6-8-13(5)22/h10-12H,6-9H2,1-5H3
- InChI Key： UXMPJJAWUSAUDZ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2CCCCC(C)=O)N(C(N1C(C)C)=O)C(C)C
Computed Properties
- Exact Mass: 334.20068
- Monoisotopic Mass: 334.20049070g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 506
- 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: 1.4
- Topological Polar Surface Area: 75.5?2
Experimental Properties
- PSA: 75.51
1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
57076-70-7 (1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(1-methylethyl)-7-(5-oxohexyl)-) Related Products
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