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18814-21-6 | 2,4(1H,3H)-Pyrimidinedione, 1-α-D-arabinofuranosyl-5-fluoro-
CAS No: 18814-21-6 Catalog No: AG002GQ3 MDL No:
Product Description
Catalog Number:
AG002GQ3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-α-D-arabinofuranosyl-5-fluoro-
CAS Number:
18814-21-6
Molecular Formula:
C9H11FN2O6
Molecular Weight:
262.1918
IUPAC Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
InChI Key:
FHIDNBAQOFJWCA-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.193g/mol
Monoisotopic Mass:
262.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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