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Home > Aldehydes > 100244-19-7
100244-19-7 | 1,2,4-Triazine-6-carboxaldehyde, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-2,3,4,5-tetrahydro-3,5-dioxo-
CAS No: 100244-19-7 Catalog No: AG0001CS MDL No:
Product Description
Catalog Number:
AG0001CS
Chemical Name:
1,2,4-Triazine-6-carboxaldehyde, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-2,3,4,5-tetrahydro-3,5-dioxo-
CAS Number:
100244-19-7
Molecular Formula:
C9H11N3O6
Molecular Weight:
257.2001
IUPAC Name:
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazine-6-carbaldehyde
InChI:
InChI=1S/C9H11N3O6/c13-2-4-8(16)10-9(17)12(11-4)7-1-5(15)6(3-14)18-7/h2,5-7,14-15H,1,3H2,(H,10,16,17)/t5-,6+,7+/m0/s1
InChI Key:
UZRLQQOXRVTQJM-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1nc(C=O)c(=O)[nH]c1=O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
257.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.202g/mol
Monoisotopic Mass:
257.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral properties of 5-(2-substituted vinyl)-6-aza-2'-deoxyuridines. | Journal of medicinal chemistry 19860501 |
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