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88852-60-2 | 3-(5,7-diamino-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CAS No: 88852-60-2 Catalog No: AG004BKK MDL No:
Product Description
Catalog Number:
AG004BKK
Chemical Name:
3-(5,7-diamino-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CAS Number:
88852-60-2
Molecular Formula:
C10H15N7O3
Molecular Weight:
281.2712
IUPAC Name:
3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
InChI:
InChI=1S/C10H15N7O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H4,11,12,13,14)
InChI Key:
XANFJHGCOJYBCQ-UHFFFAOYSA-N
SMILES:
OCC1CC(C(C1O)O)n1nnc2c1nc(N)nc2N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
281.276g/mol
Monoisotopic Mass:
281.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of carbocyclic analogues of lyxofuranosides of 2-amino-6-substituted-purines and 2-amino-6-substituted-8-azapurines. | Journal of medicinal chemistry 19900401 |
| Synthesis and antiviral activity of carbocyclic analogues of xylofuranosides of 2-amino-6-substituted-purines and 2-amino-6-substituted-8-azapurines. | Journal of medicinal chemistry 19871101 |
| Synthesis and antiviral evaluation of carbocyclic analogues of ribofuranosides of 2-amino-6-substituted-purines and of 2-amino-6-substituted-8-azapurines. | Journal of medicinal chemistry 19840501 |
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