Cas no 29217-90-1 (9-pentofuranosyl-N~6~-phenyl-9H-purine-2,6-diamine)
29217-90-1 structure
Product Name:9-pentofuranosyl-N~6~-phenyl-9H-purine-2,6-diamine
CAS No:29217-90-1
MF:C16H18N6O4
MW:358.351922512054
CID:915413
PubChem ID:332074
Update Time:2025-04-19
9-pentofuranosyl-N~6~-phenyl-9H-purine-2,6-diamine Chemical and Physical Properties
Names and Identifiers
-
- 9-pentofuranosyl-N~6~-phenyl-9H-purine-2,6-diamine
- 2-(2-amino-6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- DTXSID50318243
- NSC327925
- 29217-90-1
- NSC-327925
-
- Inchi： 1S/C16H18N6O4/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)
- InChI Key： LEWFGSPJXBHOOO-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC2C(NC3C=CC=CC=3)=NC(N)=NC1=2)O)O
Computed Properties
- Exact Mass: 358.139
- Monoisotopic Mass: 358.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 482
- 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: 0.8
- Topological Polar Surface Area: 152?2
Experimental Properties
- Density: 1.78
- Boiling Point: 792.6°Cat760mmHg
- Flash Point: 433.2°C
- Refractive Index: 1.829
- PSA: 151.57000
- LogP: 0.41780
9-pentofuranosyl-N~6~-phenyl-9H-purine-2,6-diamine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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