Cas no 53665-01-3 (6-(aziridin-1-yl)-9-pentofuranosyl-9H-purine)
53665-01-3 structure
Product Name:6-(aziridin-1-yl)-9-pentofuranosyl-9H-purine
CAS No:53665-01-3
MF:C12H15N5O4
MW:293.278601884842
CID:938922
PubChem ID:236526
Update Time:2025-04-19
6-(aziridin-1-yl)-9-pentofuranosyl-9H-purine Chemical and Physical Properties
Names and Identifiers
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- 6-(aziridin-1-yl)-9-pentofuranosyl-9H-purine
- NSC39091
- 53665-01-3
- DTXSID60968435
- NSC-39091
-
- Inchi： 1S/C12H15N5O4/c18-3-6-8(19)9(20)12(21-6)17-5-15-7-10(16-1-2-16)13-4-14-11(7)17/h4-6,8-9,12,18-20H,1-3H2
- InChI Key： MCLBFUWIKOIULQ-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC2C(=NC=NC1=2)N1CC1)O)O
Computed Properties
- Exact Mass: 293.11240398g/mol
- Monoisotopic Mass: 293.11240398g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 117?2
6-(aziridin-1-yl)-9-pentofuranosyl-9H-purine Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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