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Thalidomide-NH-PEG2-C2-NH-Boc

CAT: 0127-OR1032382-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1032382-01Size:100 mg
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CAS Number
2097509-40-3
Purity
98%
Smiles
O=C(OC(C)(C)C)NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O

Chemical Information

Thalidomide-NH-PEG2-C2-NH-Boc
CAS Number2097509-40-3
PubChem CID132045665
IUPAC Nametert-butyl N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC24H32N4O8
Molecular Weight504.5
XLogP1.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity842
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C24H32N4O8/c1-24(2,3)36-23(33)26-10-12-35-14-13-34-11-9-25-16-6-4-5-15-19(16)22(32)28(21(15)31)17-7-8-18(29)27-20(17)30/h4-6,17,25H,7-14H2,1-3H3,(H,26,33)(H,27,29,30)
InChIKey
YMOKYFTVZVHRSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-PEG2-C2-NH-Boc
CAS: 2097509-40-3
CID: 132045665
Formula: C24H32N4O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass504.22201399
Monoisotopic Mass504.22201399
Topological Polar Surface Area152 Ų
Heavy Atom Count36
Formal Charge0
Complexity842
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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