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132235-71-3 | Thymidine, 3'-deoxy-3'-(hydroxymethyl)-
CAS No: 132235-71-3 Catalog No: AG0010EU MDL No:
Product Description
Catalog Number:
AG0010EU
Chemical Name:
Thymidine, 3'-deoxy-3'-(hydroxymethyl)-
CAS Number:
132235-71-3
Molecular Formula:
C11H16N2O5
Molecular Weight:
256.2551
IUPAC Name:
1-[4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)
InChI Key:
QWMUYDQSNZFVTG-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.258g/mol
Monoisotopic Mass:
256.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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