Cas no 62081-15-6 (Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester)
![Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester structure](https://ossimg.kuujia.com/scimg/62500/62081-15-6x500.png)
62081-15-6 structure
Product Name:Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester
CAS No:62081-15-6
MF:C19H22N10O4
MW:454.442581653595
CID:458862
PubChem ID:71390188
Update Time:2025-04-19
Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester
- bis[2-(6-aminopurin-9-yl)ethyl] pentanedioate
- DTXSID90812114
- Bis[2-(6-amino-9H-purin-9-yl)ethyl] pentanedioate
- 62081-15-6
-
- Inchi： 1S/C19H22N10O4/c20-16-14-18(24-8-22-16)28(10-26-14)4-6-32-12(30)2-1-3-13(31)33-7-5-29-11-27-15-17(21)23-9-25-19(15)29/h8-11H,1-7H2,(H2,20,22,24)(H2,21,23,25)
- InChI Key： LNCWGXGOQHSGAX-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)OCCN1C=NC2C(N)=NC=NC1=2)=O)CCN1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 454.18286
- Monoisotopic Mass: 454.18254922g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 33
- Rotatable Bond Count: 12
- Complexity: 619
- 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: -0.9
- Topological Polar Surface Area: 192?2
Experimental Properties
- PSA: 191.84
Pentanedioic acid, bis[2-(6-amino-9H-purin-9-yl)ethyl] ester Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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