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137530-41-7 | 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
CAS No: 137530-41-7 Catalog No: AG0013HH MDL No:MFCD00870858
Product Description
Catalog Number:
AG0013HH
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
CAS Number:
137530-41-7
Molecular Formula:
C8H10FN3O3S
Molecular Weight:
247.2467
MDL Number:
MFCD00870858
IUPAC Name:
4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
InChI:
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1
InChI Key:
XQSPYNMVSIKCOC-RITPCOANSA-N
SMILES:
Nc1nc(=O)n(cc1F)[C@H]1CS[C@H](O1)CO
UNII:
9PDN1V466A
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.244g/mol
Monoisotopic Mass:
247.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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| Inhibition of the replication of hepatitis B virus in vitro by 2',3'-dideoxy-3'-thiacytidine and related analogues. | Proceedings of the National Academy of Sciences of the United States of America 19911001 |
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