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87984-10-9 | 2-(4-AMINO-5-BUT-2-ENYL-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
CAS No: 87984-10-9 Catalog No: AG004LM5 MDL No:
Product Description
Catalog Number:
AG004LM5
Chemical Name:
2-(4-AMINO-5-BUT-2-ENYL-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
CAS Number:
87984-10-9
Molecular Formula:
C15H20N4O4
Molecular Weight:
320.3437
IUPAC Name:
(2R,3R,4S,5R)-2-[4-amino-5-[(E)-but-2-enyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C15H20N4O4/c1-2-3-4-8-5-19(14-10(8)13(16)17-7-18-14)15-12(22)11(21)9(6-20)23-15/h2-3,5,7,9,11-12,15,20-22H,4,6H2,1H3,(H2,16,17,18)/b3-2+/t9-,11-,12-,15-/m1/s1
InChI Key:
QJEHCYLNRGMEMP-YEZPCYKBSA-N
SMILES:
CC=CCc1cn(c2c1c(N)ncn2)C1OC(C(C1O)O)CO
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
320.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.349g/mol
Monoisotopic Mass:
320.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Broad-spectrum antiviral activity of adenosine analogues. | Antiviral research 19840601 |
| Antiviral activity of C-5 substituted tubercidin analogues. | Journal of medicinal chemistry 19840301 |
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