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Pomalidomide-PEG3-NH-Boc

CAT: 0127-BIPC1019-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPC1019-01Size:100 mg
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CAS Number
2204246-03-5
MDL Number
MFCD32694133
Smiles
CC(C)(C)OC(=O)NCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Storage Conditions
Store below -20°C

Chemical Information

Pomalidomide-PEG3-NH-Boc
CAS Number2204246-03-5
PubChem CID131801484
IUPAC Nametert-butyl N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC26H36N4O9
Molecular Weight548.6
XLogP0.9
Topological Polar Surface Area162
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity891
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C26H36N4O9/c1-26(2,3)39-25(35)28-10-12-37-14-16-38-15-13-36-11-9-27-18-6-4-5-17-21(18)24(34)30(23(17)33)19-7-8-20(31)29-22(19)32/h4-6,19,27H,7-16H2,1-3H3,(H,28,35)(H,29,31,32)
InChIKey
ZAQGFFFSCSRSDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-PEG3-NH-Boc
CAS: 2204246-03-5
CID: 131801484
Formula: C26H36N4O9
MW: 548.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.6
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass548.24822874
Monoisotopic Mass548.24822874
Topological Polar Surface Area162 Ų
Heavy Atom Count39
Formal Charge0
Complexity891
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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