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136451-98-4 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]-5-methyl-
CAS No: 136451-98-4 Catalog No: AG0011VV MDL No:
Product Description
Catalog Number:
AG0011VV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]-5-methyl-
CAS Number:
136451-98-4
Molecular Formula:
C10H14N2O5
Molecular Weight:
242.2286
IUPAC Name:
1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O5/c1-5-2-12(10(16)11-8(5)15)9-6(3-13)7(4-14)17-9/h2,6-7,9,13-14H,3-4H2,1H3,(H,11,15,16)/t6-,7-,9-/m1/s1
InChI Key:
NRDGYJVGNAAHDO-ZXFLCMHBSA-N
SMILES:
Cc1cn([C@@H]2O[C@@H]([C@H]2CO)CO)c(=O)[nH]c1=O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
242.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.231g/mol
Monoisotopic Mass:
242.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Efficacy of A-73209, a potent orally active agent against VZV and HSV infections. | Antiviral research 19940201 |
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