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114884-15-0 | 2,4(1H,3H)-Pyrimidinedione, 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-
CAS No: 114884-15-0 Catalog No: AG000FEL MDL No:
Product Description
Catalog Number:
AG000FEL
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-
CAS Number:
114884-15-0
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
IUPAC Name:
1-[5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H16N2O4/c1-6-3-9(17-8(6)5-14)13-4-7(2)10(15)12-11(13)16/h4,6,8-9,14H,3,5H2,1-2H3,(H,12,15,16)
InChI Key:
HSPRVZHNPSWIJU-UHFFFAOYSA-N
SMILES:
OC[C@H]1C[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Carbocyclic thymidine derivatives efficiently inhibit Plasmodium falciparum thymidylate kinase (PfTMK). | Parasitology international 20120901 |
| The effect on quadruplex stability of North-nucleoside derivatives in the loops of the thrombin-binding aptamer. | Bioorganic & medicinal chemistry 20120715 |
| The nucleoside analogue D-carba T blocks HIV-1 reverse transcription. | Journal of medicinal chemistry 20090910 |
| Stereospecific synthesis and antiviral properties of different enantiomerically pure carbocyclic 2'-deoxyribonucleoside analogues derived from common chiral pools: (+)-(1R,5S)- and (-)-(1S,5R)-2-oxabicyclo[3.3.0]oct-6-en-3-one. | Journal of medicinal chemistry 19900501 |
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