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Pomalidomide-d5

CAT: 1596-AR-P02322-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02322-03Size:50 Units
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CAS Number
1377838-49-7
Synonyms
4-amino-2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione-D5; 4-Amino-2- (2,6-dioxo-3-piperidinyl) isoindole-1,3-dione-d5; 4-Amino-2- (2,6-dioxo-3-piperidyl) isoindoline-1,3-dione-d5; Actimid-d5; CC 4047-d5; IMiD 3-d5
Molecular Formula
C13H6N3O4D5
Molecular Weight
278.28
API Name
Pomalidomide

Chemical Information

Pomalidomide-D5
CAS Number1377838-49-7
PubChem CID121231037
IUPAC Name4-amino-2-(3,4,4,5,5-pentadeuterio-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC13H11N3O4
Molecular Weight278.27
XLogP0.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity504
SMILES
[2H]C1(C(=O)NC(=O)C(C1([2H])[2H])([2H])N2C(=O)C3=C(C2=O)C(=CC=C3)N)[2H]
InChI
InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/i4D2,5D2,8D
InChIKey
UVSMNLNDYGZFPF-XHNMXOBISA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-D5
CAS: 1377838-49-7
CID: 121231037
Formula: C13H11N3O4
MW: 278.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.27
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass278.10633957
Monoisotopic Mass278.10633957
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity504
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes