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Panclicin B

CAT: 0013-GTR19254924-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254924-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Panclicin B is an effective inhibitor of pancreatic lipase (pancreaticlipase) .
CAS Number
160700-42-5
Field of Research
Metabolism Research
Smiles
O=CNC (C (=O) OC (CCCCCCC) CC1OC (=O) C1CCCCCCCCCC) C
Molecular Formula
C26H47NO5
Molecular Weight
453.655
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-Decyl-4-oxooxetan-2-yl)nonan-2-yl 2-formamidopropanoate
CAS Number160700-42-5
PubChem CID85055913
IUPAC Name1-(3-decyl-4-oxooxetan-2-yl)nonan-2-yl 2-formamidopropanoate
Molecular FormulaC26H47NO5
Molecular Weight453.7
XLogP8.6
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count21
Heavy Atom Count32
Formal Charge0
Complexity524
SMILES
CCCCCCCCCCC1C(OC1=O)CC(CCCCCCC)OC(=O)C(C)NC=O
InChI
InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-14-16-18-23-24(32-26(23)30)19-22(17-15-13-9-7-5-2)31-25(29)21(3)27-20-28/h20-24H,4-19H2,1-3H3,(H,27,28)
InChIKey
WKCHBWPPSCZGSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Decyl-4-oxooxetan-2-yl)nonan-2-yl 2-formamidopropanoate
CAS: 160700-42-5
CID: 85055913
Formula: C26H47NO5
MW: 453.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.7
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count21
Exact Mass453.34542360
Monoisotopic Mass453.34542360
Topological Polar Surface Area81.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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