Cas no 478511-40-9 (thymidine (deoxyribose-13c5; u-15n2))
478511-40-9 structure
Product Name:thymidine (deoxyribose-13c5; u-15n2)
CAS No:478511-40-9
MF:C10H14N2O5
MW:249.178655147552
CID:931478
PubChem ID:118855773
Update Time:2025-04-19
thymidine (deoxyribose-13c5; u-15n2) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-15N2]THYMIDINE
- Thymidine(deoxyribose-13c5; u-15n2)
- CS-0498198
- Thymidine-13C5,15N
- 2'-deoxy-(1',2',3',4',5'-13C5,N1,N3-15N2)-thymidine
- HY-N1150S7
- 478511-40-9
- thymidine (deoxyribose-13c5; u-15n2)
-
- Inchi： 1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2+1,4+1,6+1,7+1,8+1,11+1,12+1
- InChI Key： IQFYYKKMVGJFEH-JGDHDXEJSA-N
- SMILES： O1[13C@H]([13CH2]O)[13C@H]([13CH2][13C@@H]1[15N]1C([15NH]C(C(C)=C1)=O)=O)O
Computed Properties
- Exact Mass: 249.101
- Monoisotopic Mass: 249.101
- Isotope Atom Count: 7
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 381
- 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: _1.2
- Topological Polar Surface Area: 99.1A^2
Experimental Properties
- PSA: 104.55000
- LogP: -1.51430
thymidine (deoxyribose-13c5; u-15n2) Related Literature
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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