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126265-11-0 | 1,2-Cyclobutanedimethanol, 3-[6-(methylamino)-9H-purin-9-yl]-, (1R,2S,3S)-rel-
CAS No: 126265-11-0 Catalog No: AG000SGG MDL No:
Product Description
Catalog Number:
AG000SGG
Chemical Name:
1,2-Cyclobutanedimethanol, 3-[6-(methylamino)-9H-purin-9-yl]-, (1R,2S,3S)-rel-
CAS Number:
126265-11-0
Molecular Formula:
C12H17N5O2
Molecular Weight:
263.2957
IUPAC Name:
[(1S,2R,3R)-2-(hydroxymethyl)-3-[6-(methylamino)purin-9-yl]cyclobutyl]methanol
InChI:
InChI=1S/C12H17N5O2/c1-13-11-10-12(15-5-14-11)17(6-16-10)9-2-7(3-18)8(9)4-19/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8-,9-/m1/s1
InChI Key:
RDPWLKRBMACBCQ-IWSPIJDZSA-N
SMILES:
OC[C@H]1[C@H](CO)C[C@@H]1n1cnc2c1ncnc2NC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
263.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.301g/mol
Monoisotopic Mass:
263.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Cyclobut-A and cyclobut-G, carbocyclic oxetanocin analogs that inhibit the replication of human immunodeficiency virus in T cells and monocytes and macrophages in vitro. | Antimicrobial agents and chemotherapy 19900201 |
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