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5'-Deoxythymidine

CAT: 0926-ND08408-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-ND08408-04Size:100 mg
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CAS Number
3458-14-8
Synonyms
5'-Deoxy-D-thymidine
MDL Number
MFCD00057398
Smiles
C[C@@H]1[C@H] (C[C@@H] (O1) N2C=C (C (=O) NC2=O) C) O
Molecular Formula
C10H14N2O4
Molecular Weight
226.23 g/mol
Controlled
No

Chemical Information

5'-Deoxythymidine

structure given in first source; used to study mechanism of entry into human erythrocytes in comparison with other deoxythymidines

CAS Number3458-14-8
PubChem CID65120
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP-0.7
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity366
SMILES
C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C10H14N2O4/c1-5-4-12(10(15)11-9(5)14)8-3-7(13)6(2)16-8/h4,6-8,13H,3H2,1-2H3,(H,11,14,15)/t6-,7+,8-/m1/s1
InChIKey
UGUILUGCFSCUKR-GJMOJQLCSA-N
Chemical Structure
2D Structure
2D structure of 5'-Deoxythymidine
CAS: 3458-14-8
CID: 65120
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area78.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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