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DBCO-Palmitic

CAT: 0013-GTR19265815-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265815-01Size:50 mg
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Description
DBCO-Palmitic is a clickable organic compound used in strain-promoted azide-alkyne cycloaddition (SPAAC) reactions.
CAS Number
2247286-94-6
Smiles
O=C (NCCC (=O) N1C=2C=CC=CC2C#CC=3C=CC=CC3C1) CCCCCCCCCCCCCCC
Molecular Formula
C34H46N2O2
Molecular Weight
514.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-Palmitic
CAS Number2247286-94-6
PubChem CID142450251
IUPAC NameN-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]hexadecanamide
Molecular FormulaC34H46N2O2
Molecular Weight514.7
XLogP9.4
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity750
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI
InChI=1S/C34H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-33(37)35-27-26-34(38)36-28-31-21-16-15-19-29(31)24-25-30-20-17-18-22-32(30)36/h15-22H,2-14,23,26-28H2,1H3,(H,35,37)
InChIKey
BWHSGFSVFDRXEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-Palmitic
CAS: 2247286-94-6
CID: 142450251
Formula: C34H46N2O2
MW: 514.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.7
XLogP39.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass514.35592871
Monoisotopic Mass514.35592871
Topological Polar Surface Area49.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity750
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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