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P-4010

CAT: 0931-T33854-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33854-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
151090-37-8
Target
Others
Related Pathways
Others
Bioactivity
P-4010 is effective against herpes simplex.
Smiles
C(OCCOC(CCCCCCC/C=C/CCCCCCCC)=O)N1C2=C(N=C1)C(=O)N=C(N)N2
Molecular Formula
C26H43N5O4
Molecular Weight
489.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

P-4010
CAS Number151090-37-8
PubChem CID135446841
IUPAC Name2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (E)-octadec-9-enoate
Molecular FormulaC26H43N5O4
Molecular Weight489.7
XLogP6.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count35
Formal Charge0
Complexity670
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C26H43N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(32)35-19-18-34-21-31-20-28-23-24(31)29-26(27)30-25(23)33/h9-10,20H,2-8,11-19,21H2,1H3,(H3,27,29,30,33)/b10-9+
InChIKey
FYGPTZLPOPGMKF-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of P-4010
CAS: 151090-37-8
CID: 135446841
Formula: C26H43N5O4
MW: 489.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.7
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass489.33150487
Monoisotopic Mass489.33150487
Topological Polar Surface Area121 Ų
Heavy Atom Count35
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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