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Alloc-NH-PEG8-PA

CAT: 0013-GTR19281059-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281059-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alloc-NH-PEG8-PA (Compound 48) is a linker used for the conjugation of Pimodivir.
CAS Number
2897625-33-9
Smiles
O=C (O) CCOCCOCCOCCOCCOCCOCCOCCOCCNC (=O) OCC=C
Molecular Formula
C23H43NO12
Molecular Weight
525.59
Notes
For research use only.

Chemical Information

3-[2-[2-[2-[2-[2-[2-[2-[2-(Prop-2-enoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CAS Number2897625-33-9
PubChem CID178421477
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(prop-2-enoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC23H43NO12
Molecular Weight525.6
XLogP-1.1
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Heavy Atom Count36
Formal Charge0
Complexity509
SMILES
C=CCOC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C23H43NO12/c1-2-5-36-23(27)24-4-7-29-9-11-31-13-15-33-17-19-35-21-20-34-18-16-32-14-12-30-10-8-28-6-3-22(25)26/h2H,1,3-21H2,(H,24,27)(H,25,26)
InChIKey
NMMYKMMCUYNAKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-[2-[2-[2-[2-[2-[2-[2-(Prop-2-enoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CAS: 2897625-33-9
CID: 178421477
Formula: C23H43NO12
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Exact Mass525.27852581
Monoisotopic Mass525.27852581
Topological Polar Surface Area149 Ų
Heavy Atom Count36
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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