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208453-66-1 | 1,2,3-Cyclopentanetriol, 4-(6-amino-9H-purin-9-yl)-, (1S,2S,3R,4S)-
CAS No: 208453-66-1 Catalog No: AG002JOT MDL No:
Product Description
Catalog Number:
AG002JOT
Chemical Name:
1,2,3-Cyclopentanetriol, 4-(6-amino-9H-purin-9-yl)-, (1S,2S,3R,4S)-
CAS Number:
208453-66-1
Molecular Formula:
C10H13N5O3
Molecular Weight:
251.2419
IUPAC Name:
(1S,2S,3R,4S)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
InChI:
InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5-,7+,8-/m0/s1
InChI Key:
VFKHECGAEJNAMV-MGVQOFIGSA-N
SMILES:
O[C@H]1[C@@H](O)C[C@@H]([C@H]1O)n1cnc2c1ncnc2N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
251.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.246g/mol
Monoisotopic Mass:
251.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Inhibition of measles virus replication by 5'-nor carbocyclic adenosine analogues. | Antiviral chemistry & chemotherapy 20010701 |
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