Cas no 59298-42-9 (Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester)
![Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester structure](https://ossimg.kuujia.com/scimg/59500/59298-42-9x500.png)
59298-42-9 structure
Product Name:Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester
CAS No:59298-42-9
MF:C12H15N5O6
MW:325.277402162552
CID:335379
PubChem ID:136096012
Update Time:2025-04-19
Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester
- 9-{2-(3-carboxypropionyloxy)ethoxymethyl}guanine
- 9-(2-(3-carboxypropionyloxy)ethoxymethyl)guanine
- 9-{2-(3-carboxypropionyloxy)ethoxymethyl} guanine
- DTXSID201146304
- 1-[2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] butanedioate
- 59298-42-9
- SCHEMBL8842958
- CHEMBL1205839
- 9-(2-(3-carboxypropionyloxy)ethoxymethyl) guanine
- RTKIXOQNORJYCY-UHFFFAOYSA-N
-
- Inchi： 1S/C12H15N5O6/c13-12-15-10-9(11(21)16-12)14-5-17(10)6-22-3-4-23-8(20)2-1-7(18)19/h5H,1-4,6H2,(H,18,19)(H3,13,15,16,21)
- InChI Key： RTKIXOQNORJYCY-UHFFFAOYSA-N
- SMILES： O(CCOC(CCC(=O)O)=O)CN1C=NC2C(NC(N)=NC1=2)=O
Computed Properties
- Exact Mass: 325.10223322g/mol
- Monoisotopic Mass: 325.10223322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 510
- 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: -1.9
- Topological Polar Surface Area: 158?2
Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
59298-42-9 (Butanedioic acid,mono[2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl] ester) Related Products
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