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5'-O-Methylthymidine

CAT: 0024-sc-284720ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-284720ASize:250 mg
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CAS Number
14504-60-0

Chemical Information

5'-O-Methylthymidine
CAS Number14504-60-0
PubChem CID14483474
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC11H16N2O5
Molecular Weight256.25
XLogP-1.2
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity395
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O
InChI
InChI=1S/C11H16N2O5/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(18-9)5-17-2/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKey
KTCKNHCDUKONFQ-DJLDLDEBSA-N
Chemical Structure
2D Structure
2D structure of 5'-O-Methylthymidine
CAS: 14504-60-0
CID: 14483474
Formula: C11H16N2O5
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.25
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass256.10592162
Monoisotopic Mass256.10592162
Topological Polar Surface Area88.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity395
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