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125962-37-0 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[cis-3-(hydroxymethyl)cyclobutyl]-
CAS No: 125962-37-0 Catalog No: AG000QLD MDL No:
Product Description
Catalog Number:
AG000QLD
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[cis-3-(hydroxymethyl)cyclobutyl]-
CAS Number:
125962-37-0
Molecular Formula:
C10H13N5O2
Molecular Weight:
235.2425
IUPAC Name:
2-amino-9-[3-(hydroxymethyl)cyclobutyl]-1H-purin-6-one
InChI:
InChI=1S/C10H13N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-1-5(2-6)3-16/h4-6,16H,1-3H2,(H3,11,13,14,17)
InChI Key:
UMHYNECKSWGZMS-UHFFFAOYSA-N
SMILES:
OC[C@@H]1C[C@@H](C1)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.247g/mol
Monoisotopic Mass:
235.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activities of carbocyclic oxetanocin analogues. | Chemical & pharmaceutical bulletin 19901001 |
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