Cas no 69359-27-9 ( )
structure
Product Name:
CAS No:69359-27-9
MF:C13H18N4O4
MW:294.306422710419
CID:973510
PubChem ID:350931
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)-5-(6-propylpurin-9-yl)oxolane-3,4-diol
- AC1L6XAW
- CTK2F4304
- NSC516791
- Ribofuranosyl-6-n-propylpurin
- 69359-27-9
- NSC-516791
- DTXSID00325745
-
-
- Inchi： 1S/C13H18N4O4/c1-2-3-7-9-12(15-5-14-7)17(6-16-9)13-11(20)10(19)8(4-18)21-13/h5-6,8,10-11,13,18-20H,2-4H2,1H3
- InChI Key： LNMPJYXMXBMVKY-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC2C(CCC)=NC=NC1=2)O)O
Computed Properties
- Exact Mass: 294.13294
- Monoisotopic Mass: 294.13280507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 361
- 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: 114?2
Experimental Properties
- PSA: 113.52
- LogP: -0.60970
Related Literature
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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