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Thalidomide-Propargyne-PEG3-COOH

CAT: 0607-BA3178-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3178-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2797649-54-6
Form
A viscous liquid
Molecular Formula
C23H24N2O9
Molecular Weight
472.44
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Thalidomide-Propargyne-PEG3-COOH
CAS Number2797649-54-6
PubChem CID162642709
IUPAC Name3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-ynoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC23H24N2O9
Molecular Weight472.4
XLogP-0.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity874
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C#CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C23H24N2O9/c26-19-6-5-18(21(29)24-19)25-22(30)16-4-3-15(14-17(16)23(25)31)2-1-8-32-10-12-34-13-11-33-9-7-20(27)28/h3-4,14,18H,5-13H2,(H,27,28)(H,24,26,29)
InChIKey
WWIBTSXCGDRYOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-Propargyne-PEG3-COOH
CAS: 2797649-54-6
CID: 162642709
Formula: C23H24N2O9
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass472.14818035
Monoisotopic Mass472.14818035
Topological Polar Surface Area149 Ų
Heavy Atom Count34
Formal Charge0
Complexity874
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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