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122624-82-2 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-3-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]-, rel-
CAS No: 122624-82-2 Catalog No: AG0017KA MDL No:
Product Description
Catalog Number:
AG0017KA
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-3-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]-, rel-
CAS Number:
122624-82-2
Molecular Formula:
C10H14N6O2
Molecular Weight:
250.2572
IUPAC Name:
5-amino-3-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C10H14N6O2/c11-10-12-8-7(9(18)13-10)14-15-16(8)6-2-1-5(3-6)4-17/h5-6,17H,1-4H2,(H3,11,12,13,18)/t5-,6+/m1/s1
InChI Key:
RRVVFTWEGVLWLH-RITPCOANSA-N
SMILES:
OC[C@H]1CC[C@H](C1)n1nnc2c1nc(N)[nH]c2=O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.262g/mol
Monoisotopic Mass:
250.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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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