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Spermine (N3BBB)

CAT: 0013-GTR19232550-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232550-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This azide-functionalized spermine analog (N3BBB) is a versatile click chemistry reagent. It enables bioorthogonal labeling for studying polyamine transport and metabolism in both cellular and animal models, facilitating proteomics and imaging applications.
CAS Number
1190203-80-5
Smiles
N (C (OC (C) (C) C) =O) (CCCCN (C (OC (C) (C) C) =O) CCCN=[N+]=[N-]) CCCNC (OC (C) (C) C) =O
Molecular Formula
C25H48N6O6
Molecular Weight
528.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Spermine(N3BBB)
CAS Number1190203-80-5
PubChem CID89888455
IUPAC Nametert-butyl N-(3-azidopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
Molecular FormulaC25H48N6O6
Molecular Weight528.7
XLogP5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count37
Formal Charge0
Complexity763
SMILES
CC(C)(C)OC(=O)NCCCN(CCCCN(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C25H48N6O6/c1-23(2,3)35-20(32)27-14-12-18-30(21(33)36-24(4,5)6)16-10-11-17-31(19-13-15-28-29-26)22(34)37-25(7,8)9/h10-19H2,1-9H3,(H,27,32)
InChIKey
OROLSMZGMDZZBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spermine(N3BBB)
CAS: 1190203-80-5
CID: 89888455
Formula: C25H48N6O6
MW: 528.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.7
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass528.36353327
Monoisotopic Mass528.36353327
Topological Polar Surface Area112 Ų
Heavy Atom Count37
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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