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158799-93-0 | 2-Cyclopenten-1-ol, 4-(6-chloro-9H-purin-9-yl)-, (1S,4R)-
CAS No: 158799-93-0 Catalog No: AG001QVB MDL No:
Product Description
Catalog Number:
AG001QVB
Chemical Name:
2-Cyclopenten-1-ol, 4-(6-chloro-9H-purin-9-yl)-, (1S,4R)-
CAS Number:
158799-93-0
Molecular Formula:
C10H9ClN4O
Molecular Weight:
236.6577
IUPAC Name:
(1S,4R)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
InChI:
InChI=1S/C10H9ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(16)3-6/h1-2,4-7,16H,3H2/t6-,7+/m0/s1
InChI Key:
KNHDEYXHYZZUNG-NKWVEPMBSA-N
SMILES:
O[C@@H]1C=C[C@@H](C1)n1cnc2c1ncnc2Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.659g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin. | Bioorganic & medicinal chemistry 20050201 |
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