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122624-83-3 | 2-Cyclopentene-1-methanol, 4-(5,7-diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-, (1R,4S)-rel-
CAS No: 122624-83-3 Catalog No: AG0017K9 MDL No:
Product Description
Catalog Number:
AG0017K9
Chemical Name:
2-Cyclopentene-1-methanol, 4-(5,7-diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-, (1R,4S)-rel-
CAS Number:
122624-83-3
Molecular Formula:
C10H13N7O
Molecular Weight:
247.2565
IUPAC Name:
[(1S,4R)-4-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C10H13N7O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h1-2,5-6,18H,3-4H2,(H4,11,12,13,14)/t5-,6+/m1/s1
InChI Key:
LLFPEISXMFXSKQ-RITPCOANSA-N
SMILES:
OC[C@H]1C=C[C@H](C1)n1nnc2c1nc(N)nc2N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.262g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV activity of carbocyclic 2',3'-didehydro-2',3'-dideoxy 2,6-disubstituted purine nucleosides. | Journal of medicinal chemistry 19900101 |
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