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130368-81-9 | 6H-Purin-6-one, 2-amino-9-[3,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-
CAS No: 130368-81-9 Catalog No: AG000UBH MDL No:
Product Description
Catalog Number:
AG000UBH
Chemical Name:
6H-Purin-6-one, 2-amino-9-[3,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-
CAS Number:
130368-81-9
Molecular Formula:
C11H15N5O3
Molecular Weight:
265.2685
IUPAC Name:
2-amino-9-[3,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
InChI:
InChI=1S/C11H15N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)6-1-11(2-6,3-17)4-18/h5-6,17-18H,1-4H2,(H3,12,14,15,19)
InChI Key:
MQUOKLYYCVUIOB-UHFFFAOYSA-N
SMILES:
OCC1(CO)CC(C1)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
265.273g/mol
Monoisotopic Mass:
265.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of carbocyclic oxetanocin analogues (C-OXT-A, C-OXT-G) and related compounds. II. | Chemical & pharmaceutical bulletin 19930301 |
| Synthesis and antiviral activities of carbocyclic oxetanocin analogues. | Chemical & pharmaceutical bulletin 19901001 |
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