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22423-26-3 | 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one,2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-,(2R,3R,3aS,9aR)-
CAS No: 22423-26-3 Catalog No: AG00I4FF MDL No:MFCD00233555
Product Description
Catalog Number:
AG00I4FF
Chemical Name:
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one,2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-,(2R,3R,3aS,9aR)-
CAS Number:
22423-26-3
Molecular Formula:
C10H12N2O5
Molecular Weight:
240.2127
MDL Number:
MFCD00233555
IUPAC Name:
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
InChI:
InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
InChI Key:
WLLOAUCNUMYOQI-JAGXHNFQSA-N
SMILES:
OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2cc(C)c(=O)n1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.215g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-viral activity of a series of d- and l-2'-deoxy-2'-fluororibonucleosides in the subgenomic HCV replicon system. | Bioorganic & medicinal chemistry 20050301 |
| Antiviral and antineoplastic activities of pyrimidine arabinosyl nucleosides and their 5'-amino derivatives. | Journal of medicinal chemistry 19791001 |
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