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131-06-6 | 2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl-5-fluoro-
CAS No: 131-06-6 Catalog No: AG000VAO MDL No:MFCD00672156
Product Description
Catalog Number:
AG000VAO
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl-5-fluoro-
CAS Number:
131-06-6
Molecular Formula:
C9H11FN2O6
Molecular Weight:
262.1918
MDL Number:
MFCD00672156
IUPAC Name:
1-[(2R,3S,4S,5R)-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)/t4-,5-,6+,8-/m1/s1
InChI Key:
FHIDNBAQOFJWCA-MNCSTQPFSA-N
SMILES:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O
EC Number:
205-007-4
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Unique anti-human immunodeficiency virus activities of the nonnucleoside reverse transcriptase inhibitors calanolide A, costatolide, and dihydrocostatolide. | Antimicrobial agents and chemotherapy 19990801 |
| Antiherpes activity of (E)-5-(2-bromovinyl)- and 5-vinyl-1-beta-D-arabinofuranosyluracil and some other 5-substituted uracil arabinosyl nucleosides in two different cell lines. | Antiviral research 19830901 |
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