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Pomalidomide 4-alkylC3-acid

CAT: 0498-bs-7207C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7207C-01Size:2 mg
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CAS Number
2225940-47-4
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
OC(=O)CCCNC1C=CC=C2C=1C(=O)N(C1CCC(=O)NC1=O)C2=O
Molecular Formula
C17 H17 N3 O6
Molecular Weight
359.33
InChI
InChI=1S/C17H17N3O6/c21-12-7-6-11 (15 (24) 19-12) 20-16 (25) 9-3-1-4-10 (14 (9) 17 (20) 26) 18-8-2-5-13 (22) 23/h1,3-4,11,18H,2,5-8H2, (H,22,23) (H,19,21,24)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Pomalidomide 4'-alkylC3-acid
CAS Number2225940-47-4
PubChem CID134589678
IUPAC Name4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoic acid
Molecular FormulaC17H17N3O6
Molecular Weight359.3
XLogP0.7
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity648
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCC(=O)O
InChI
InChI=1S/C17H17N3O6/c21-12-7-6-11(15(24)19-12)20-16(25)9-3-1-4-10(14(9)17(20)26)18-8-2-5-13(22)23/h1,3-4,11,18H,2,5-8H2,(H,22,23)(H,19,21,24)
InChIKey
DXQHHPDVZILLOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide 4'-alkylC3-acid
CAS: 2225940-47-4
CID: 134589678
Formula: C17H17N3O6
MW: 359.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.3
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass359.11173527
Monoisotopic Mass359.11173527
Topological Polar Surface Area133 Ų
Heavy Atom Count26
Formal Charge0
Complexity648
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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