Cas no 116002-29-0 (9H-Purine-2,6-diamine,9-(2-deoxy-b-D-threo-pentofuranosyl)-)
116002-29-0 structure
Product Name:9H-Purine-2,6-diamine,9-(2-deoxy-b-D-threo-pentofuranosyl)-
CAS No:116002-29-0
MF:C10H14N6O3
MW:266.25656080246
CID:154355
PubChem ID:451881
Update Time:2025-04-19
9H-Purine-2,6-diamine,9-(2-deoxy-b-D-threo-pentofuranosyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-2,6-diamine,9-(2-deoxy-b-D-threo-pentofuranosyl)-
- (2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- 9-(2-Deoxy-.beta.-D-threo-pentofuranosyl)-2,6-diaminopurine
- 9-(2-Deoxy-beta-D-threo-pentofuranosyl)-2,6-diaminopurine
- 9H-Purine-2,6-diamine, 9-(2-deoxy-.beta.-D-threo-pentofuranosyl)-
- 9H-Purine-2,6-diamine, 9-(2-deoxy-beta-D-threo-pentofuranosyl)-
- PD171662
- xyloDAPR
- DTXSID80151266
- (2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
- 3'-OH-2'-d-2-NH2-A
- W-202801
- SCHEMBL12123492
- 116002-29-0
-
- Inchi： 1S/C10H14N6O3/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5-,6-/m1/s1
- InChI Key： NOLHIMIFXOBLFF-HSUXUTPPSA-N
- SMILES： O1[C@H](CO)[C@@H](C[C@@H]1N1C=NC2C(N)=NC(N)=NC1=2)O
Computed Properties
- Exact Mass: 266.11292
- Monoisotopic Mass: 266.11273833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 145?2
Experimental Properties
- PSA: 145.33
9H-Purine-2,6-diamine,9-(2-deoxy-b-D-threo-pentofuranosyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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