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ABI-1968

CAT: 0931-T67785-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T67785-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1626364-18-8
Target
Antiviral, Endogenous Metabolite
Related Pathways
Metabolism, Immunology/Inflammation
Purity
0.9854
Bioactivity
ABI-1968 has antiviral and antitumor activity and can be used to study immune system diseases.
Smiles
O=C1N=C(N)NC2=C1N=CN2CCOCP(=O)(OCC=3C=CC=CC3)OCCOCCCCCCCCCCCCCCCCCC
Molecular Formula
C35H58N5O6P
Molecular Weight
675.839
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ode-bn-pmeg
CAS Number1626364-18-8
PubChem CID135565845
IUPAC Name2-amino-9-[2-[[2-octadecoxyethoxy(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
Molecular FormulaC35H58N5O6P
Molecular Weight675.8
XLogP8.2
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count29
Heavy Atom Count47
Formal Charge0
Complexity906
SMILES
CCCCCCCCCCCCCCCCCCOCCOP(=O)(COCCN1C=NC2=C1N=C(NC2=O)N)OCC3=CC=CC=C3
InChI
InChI=1S/C35H58N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-43-26-27-45-47(42,46-28-31-21-18-17-19-22-31)30-44-25-23-40-29-37-32-33(40)38-35(36)39-34(32)41/h17-19,21-22,29H,2-16,20,23-28,30H2,1H3,(H3,36,38,39,41)
InChIKey
AHSNBFKBLUUKAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ode-bn-pmeg
CAS: 1626364-18-8
CID: 135565845
Formula: C35H58N5O6P
MW: 675.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.8
XLogP38.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count29
Exact Mass675.41247158
Monoisotopic Mass675.41247158
Topological Polar Surface Area139 Ų
Heavy Atom Count47
Formal Charge0
Complexity906
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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