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Home > Other Building Blocks > 127794-14-3
127794-14-3 | Guanosine, 7,8-dihydro-7-methyl-8-thioxo- (9CI)
CAS No: 127794-14-3 Catalog No: AG000XEU MDL No:
Product Description
Catalog Number:
AG000XEU
Chemical Name:
Guanosine, 7,8-dihydro-7-methyl-8-thioxo- (9CI)
CAS Number:
127794-14-3
Molecular Formula:
C11H15N5O5S
Molecular Weight:
329.3323
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-8-sulfanylidene-1H-purin-6-one
InChI:
InChI=1S/C11H15N5O5S/c1-15-4-7(13-10(12)14-8(4)20)16(11(15)22)9-6(19)5(18)3(2-17)21-9/h3,5-6,9,17-19H,2H2,1H3,(H3,12,13,14,20)/t3-,5-,6-,9-/m1/s1
InChI Key:
RYCBQZRMWCNRMH-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=S)n(c2c1nc(N)[nH]c2=O)C
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
329.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
329.331g/mol
Monoisotopic Mass:
329.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and broad-spectrum antiviral activity of 7,8-dihydro-7-methyl-8-thioxoguanosine. | Journal of medicinal chemistry 19900801 |
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