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Pomalidomide-PEG4-azide

CAT: 0127-OR1035682-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1035682-02Size:50 mg
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CAS Number
2271036-47-4
Purity
98%
Smiles
O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCOCCN=[N+]=[N-])=O

Chemical Information

Pomalidomide-PEG4-Azide
CAS Number2271036-47-4
PubChem CID145714646
IUPAC Name4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC23H30N6O8
Molecular Weight518.5
XLogP1.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity851
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H30N6O8/c24-28-26-7-9-35-11-13-37-15-14-36-12-10-34-8-6-25-17-3-1-2-16-20(17)23(33)29(22(16)32)18-4-5-19(30)27-21(18)31/h1-3,18,25H,4-15H2,(H,27,30,31)
InChIKey
SMHKJRVPSDESLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG4-Azide
CAS: 2271036-47-4
CID: 145714646
Formula: C23H30N6O8
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass518.21251194
Monoisotopic Mass518.21251194
Topological Polar Surface Area147 Ų
Heavy Atom Count37
Formal Charge0
Complexity851
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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