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Thalidomide-O-PEG4-Acid

CAT: 0127-BIPC1003-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPC1003-01Size:50 mg
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CAS Number
2446382-02-9
MDL Number
MFCD32693309
Purity
98%
Smiles
OC(=O)CCOCCOCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Storage Conditions
Store below -20°C

Chemical Information

Thalidomide-O-PEG4-Acid
CAS Number2446382-02-9
PubChem CID146673331
IUPAC Name3-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC24H30N2O11
Molecular Weight522.5
XLogP-0.8
Topological Polar Surface Area167
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity821
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C24H30N2O11/c27-19-5-4-17(22(30)25-19)26-23(31)16-2-1-3-18(21(16)24(26)32)37-15-14-36-13-12-35-11-10-34-9-8-33-7-6-20(28)29/h1-3,17H,4-15H2,(H,28,29)(H,25,27,30)
InChIKey
LIYMMEGVJYBSCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-PEG4-Acid
CAS: 2446382-02-9
CID: 146673331
Formula: C24H30N2O11
MW: 522.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass522.18495978
Monoisotopic Mass522.18495978
Topological Polar Surface Area167 Ų
Heavy Atom Count37
Formal Charge0
Complexity821
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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