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Pomalidomide-amido-C3-COOH

CAT: 1266-JH915455Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH915455Size:1 Each
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CAS Number
2162120-77-4
Molecular Formula
C18H17N3O7
Molecular Weight
387.34

Chemical Information

Pomalidomide-amido-C3-COOH
CAS Number2162120-77-4
PubChem CID138560597
IUPAC Name5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-5-oxopentanoic acid
Molecular FormulaC18H17N3O7
Molecular Weight387.3
XLogP-0.2
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity735
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CCCC(=O)O
InChI
InChI=1S/C18H17N3O7/c22-12(5-2-6-14(24)25)19-10-4-1-3-9-15(10)18(28)21(17(9)27)11-7-8-13(23)20-16(11)26/h1,3-4,11H,2,5-8H2,(H,19,22)(H,24,25)(H,20,23,26)
InChIKey
JJQUHUNMWFLJBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-amido-C3-COOH
CAS: 2162120-77-4
CID: 138560597
Formula: C18H17N3O7
MW: 387.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.3
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass387.10664989
Monoisotopic Mass387.10664989
Topological Polar Surface Area150 Ų
Heavy Atom Count28
Formal Charge0
Complexity735
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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