Cas no 70465-64-4 (3-propylthymidine)
3-propylthymidine structure
Product Name:3-propylthymidine
CAS No:70465-64-4
MF:C13H20N2O5
MW:284.308303833008
CID:1743673
PubChem ID:155377
Update Time:2025-04-21
3-propylthymidine Chemical and Physical Properties
Names and Identifiers
-
- 3-propylthymidine
- Thymidine, 3-propyl-
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-propylpyrimidine-2,4-dione
- CHEMBL3229792
- DTXSID70220738
- 70465-64-4
-
- Inchi： 1S/C13H20N2O5/c1-3-4-14-12(18)8(2)6-15(13(14)19)11-5-9(17)10(7-16)20-11/h6,9-11,16-17H,3-5,7H2,1-2H3/t9-,10+,11+/m0/s1
- InChI Key： BSXSIHVEAFABHS-HBNTYKKESA-N
- SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C=C(C)C(N(CCC)C1=O)=O)O
Computed Properties
- Exact Mass: 284.1373
- Monoisotopic Mass: 284.13722174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 437
- 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: -0.1
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- PSA: 90.31
3-propylthymidine Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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