Cas no 62637-09-6 (1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl-)
62637-09-6 structure
Product Name:1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl-
CAS No:62637-09-6
MF:C9H12N4O4
MW:240.215981483459
CID:437023
PubChem ID:3616685
Update Time:2025-04-19
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl-
- 7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
- SR-01000148778
- Oprea1_108537
- CCG-145660
- 7-(2,3-dihydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- 7-(2,3-dihydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
- AKOS022050191
- HMS1632D11
- AC1MUDJS
- AKOS037495285
- 7-(2,3-Dihydroxypropyl)-3-methylxanthine
- CEQTZOYQHCHZTF-UHFFFAOYSA-N
- 62637-09-6
- SCHEMBL10335113
- AKOS001888623
- SR-01000148778-1
- DTXSID40394339
-
- Inchi： 1S/C9H12N4O4/c1-12-7-6(8(16)11-9(12)17)13(4-10-7)2-5(15)3-14/h4-5,14-15H,2-3H2,1H3,(H,11,16,17)
- InChI Key： CEQTZOYQHCHZTF-UHFFFAOYSA-N
- SMILES： OC(CO)CN1C=NC2=C1C(NC(N2C)=O)=O
Computed Properties
- Exact Mass: 240.08596
- Monoisotopic Mass: 240.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 337
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.1
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 107.69
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
62637-09-6 (1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-3-methyl-) Related Products
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