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155892-40-3 | Uridine, 5-bromo-2'-deoxy-5-ethyl-5,6-dihydro-6-methoxy-, (5R,6R)- (9CI)
CAS No: 155892-40-3 Catalog No: AG001OBF MDL No:
Product Description
Catalog Number:
AG001OBF
Chemical Name:
Uridine, 5-bromo-2'-deoxy-5-ethyl-5,6-dihydro-6-methoxy-, (5R,6R)- (9CI)
CAS Number:
155892-40-3
Molecular Formula:
C12H19BrN2O6
Molecular Weight:
367.1931
IUPAC Name:
(5R,6R)-5-bromo-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C12H19BrN2O6/c1-3-12(13)9(18)14-11(19)15(10(12)20-2)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10+,12-/m0/s1
InChI Key:
HJKSCXIFBAAKTA-GFIAMVSTSA-N
SMILES:
CO[C@H]1N([C@H]2C[C@@H]([C@H](O2)CO)O)C(=O)NC(=O)[C@@]1(Br)CC
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
366.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
367.196g/mol
Monoisotopic Mass:
366.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis, biotransformation, pharmacokinetics, and antiviral properties of 5-ethyl-5-halo-6-methoxy-5,6-dihydro-2'-deoxyuridine diastereomers. | Biochemical pharmacology 19940429 |
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