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Pomalidomide-PEG3-C2-NH2 1mg

CAT: 0628-A19141-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A19141-1Size:1 mg
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CAS Number
2093416-31-8

Chemical Information

Pomalidomide-PEG3-C2-NH2
CAS Number2093416-31-8
PubChem CID131999703
IUPAC Name4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC21H28N4O7
Molecular Weight448.5
XLogP-0.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCN
InChI
InChI=1S/C21H28N4O7/c22-6-8-30-10-12-32-13-11-31-9-7-23-15-3-1-2-14-18(15)21(29)25(20(14)28)16-4-5-17(26)24-19(16)27/h1-3,16,23H,4-13,22H2,(H,24,26,27)
InChIKey
ALLUGXFCRRSPMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG3-C2-NH2
CAS: 2093416-31-8
CID: 131999703
Formula: C21H28N4O7
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass448.19579924
Monoisotopic Mass448.19579924
Topological Polar Surface Area149 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
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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MBS3615554-01Pomalidomide-PEG3-C2-NH2
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