Cas no 16006-62-5 (9H-Purine,6-ethyl-9-b-D-ribofuranosyl-)
16006-62-5 structure
Product Name:9H-Purine,6-ethyl-9-b-D-ribofuranosyl-
CAS No:16006-62-5
MF:C12H16N4O4
MW:280.279842376709
CID:236269
PubChem ID:351032
Update Time:2025-04-19
9H-Purine,6-ethyl-9-b-D-ribofuranosyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,6-ethyl-9-b-D-ribofuranosyl-
- 2-(6-ethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- (2R,3R,4S,5R)-2-(6-ethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- AC1L6XIB
- AGN-PC-00KVGX
- NSC518045
- Ribofuranosyl-6-aethylpurin
- 16006-62-5
- NSC-518045
- 9H-Purine, 6-ethyl-9-(beta-d-ribofuranosyl)-
- DTXSID80325783
-
- Inchi: 1S/C12H16N4O4/c1-2-6-8-11(14-4-13-6)16(5-15-8)12-10(19)9(18)7(3-17)20-12/h4-5,7,9-10,12,17-19H,2-3H2,1H3
- InChI Key: AGKGZTUSZIPPRS-UHFFFAOYSA-N
- SMILES: O1C(CO)C(C(C1N1C=NC2C(CC)=NC=NC1=2)O)O
Computed Properties
- Exact Mass: 280.11728
- Monoisotopic Mass: 280.11715500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 347
- 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: 0.1
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 113.52
- LogP: -0.99980
9H-Purine,6-ethyl-9-b-D-ribofuranosyl- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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