Cas no 5845-43-2 (9H-Purine-9-ethanol, 6-amino-, 9-acetate)
5845-43-2 structure
Product Name:9H-Purine-9-ethanol, 6-amino-, 9-acetate
CAS No:5845-43-2
MF:C9H11N5O2
MW:221.215940713882
CID:1610665
Update Time:2023-03-25
9H-Purine-9-ethanol, 6-amino-, 9-acetate Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-9-ethanol, 6-amino-, acetate (ester)
- 9H-Purine-9-ethanol, 6-amino-, 9-acetate
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- Inchi： 1S/C9H11N5O2/c1-6(15)16-3-2-14-5-13-7-8(10)11-4-12-9(7)14/h4-5H,2-3H2,1H3,(H2,10,11,12)
- InChI Key： JRMMAACZJOVVCV-UHFFFAOYSA-N
- SMILES： CC(OCCN1C2C(=C(N)N=CN=2)N=C1)=O
Computed Properties
- Exact Mass: 221.091
- Monoisotopic Mass: 221.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 262
- 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: _0.3
- Topological Polar Surface Area: 95.9A^2
9H-Purine-9-ethanol, 6-amino-, 9-acetate Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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