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101527-45-1 | Thymidine, α-fluoro- (9CI)
CAS No: 101527-45-1 Catalog No: AG0004QK MDL No:
Product Description
Catalog Number:
AG0004QK
Chemical Name:
Thymidine, α-fluoro- (9CI)
CAS Number:
101527-45-1
Molecular Formula:
C10H13FN2O5
Molecular Weight:
260.2190
IUPAC Name:
5-(fluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H13FN2O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1-2,4H2,(H,12,16,17)/t6-,7+,8+/m0/s1
InChI Key:
BQLWSXSBUAEINE-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CF)c(=O)[nH]c1=O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
260.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.221g/mol
Monoisotopic Mass:
260.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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