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Myristic anhydride

CAT: 0931-TYD-00330-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00330-01Size:1 g
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CAS Number
626-29-9
Bioactivity
Myristic anhydride is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC
Molecular Formula
C28H54O3
Molecular Weight
438.7266
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tetradecanoic acid, 1,1'-anhydride
CAS Number626-29-9
PubChem CID69377
IUPAC Nametetradecanoyl tetradecanoate
Molecular FormulaC28H54O3
Molecular Weight438.7
XLogP12.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count26
Heavy Atom Count31
Formal Charge0
Complexity356
SMILES
CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
RCRYHUPTBJZEQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetradecanoic acid, 1,1'-anhydride
CAS: 626-29-9
CID: 69377
Formula: C28H54O3
MW: 438.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight438.7
XLogP312.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count26
Exact Mass438.40729558
Monoisotopic Mass438.40729558
Topological Polar Surface Area43.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity356
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