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Thalidomide-NH-PEG2-COOH

CAT: 0607-BA3124-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3124-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2412056-45-0
Form
A solid
Molecular Formula
C20H23N3O8
Molecular Weight
433.41
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Thalidomide-NH-PEG2-COOH
CAS Number2412056-45-0
PubChem CID146410308
IUPAC Name3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]propanoic acid
Molecular FormulaC20H23N3O8
Molecular Weight433.4
XLogP-0.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity727
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCCOCCOCCC(=O)O
InChI
InChI=1S/C20H23N3O8/c24-16-4-3-15(18(27)22-16)23-19(28)13-2-1-12(11-14(13)20(23)29)21-6-8-31-10-9-30-7-5-17(25)26/h1-2,11,15,21H,3-10H2,(H,25,26)(H,22,24,27)
InChIKey
TWTMAVHRHZISKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-PEG2-COOH
CAS: 2412056-45-0
CID: 146410308
Formula: C20H23N3O8
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass433.14851470
Monoisotopic Mass433.14851470
Topological Polar Surface Area151 Ų
Heavy Atom Count31
Formal Charge0
Complexity727
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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