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A 69992

CAT: 0013-GTR19198419-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198419-02Size:50 mg
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Description
A 69992 is a nucleoside analog with anti-HIV activity. It serves as a research tool for investigating nucleoside reverse transcriptase inhibition in both in vitro enzymatic assays and cell-based antiviral studies.
CAS Number
138921-14-9
Smiles
C (O) [C@H]1[C@H] (N2C3=C (N=C2[3H]) C (=O) N=C (N) N3) C[C@@H]1CO
Molecular Formula
C11H14N5O3T
Molecular Weight
267.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abbott 69992

structure given in first source; A 69992 is parent cpd without isomeric designation; A 75179 and A 75962 are enantiomers of A 69992 and have different HIV antiviral activities

CAS Number138921-14-9
PubChem CID135583307
IUPAC Name2-amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-1H-purin-6-one
Molecular FormulaC11H15N5O3
Molecular Weight267.28
XLogP-1.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity415
SMILES
[3H]C1=NC2=C(N1C3CC(C3CO)CO)N=C(NC2=O)N
InChI
InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)7-1-5(2-17)6(7)3-18/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/i4T
InChIKey
GWFOVSGRNGAGDL-IBTRZKOZSA-N
Chemical Structure
2D Structure
2D structure of Abbott 69992
CAS: 138921-14-9
CID: 135583307
Formula: C11H15N5O3
MW: 267.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.28
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass267.12571361
Monoisotopic Mass267.12571361
Topological Polar Surface Area126 Ų
Heavy Atom Count19
Formal Charge0
Complexity415
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T26434-01A 69992

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