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BLXA-4

CAT: 0931-T26838-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26838-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362516-29-8
Target
Others
Related Pathways
Others
Bioactivity
BLXA-4 is used potentially to treat gingival diseases.
Smiles
C(=C/[C@H]([C@H](CCCC(OC)=O)O)O)\C1=C(/C=C/[C@@H](CCCCC)O)C=CC=C1
Molecular Formula
C23H34O5
Molecular Weight
390.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BLXA4-me
CAS Number362516-29-8
PubChem CID10222011
IUPAC Namemethyl (E,5S,6R)-5,6-dihydroxy-8-[2-[(E,3R)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoate
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP3.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity474
SMILES
CCCCC[C@H](/C=C/C1=CC=CC=C1/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)O
InChI
InChI=1S/C23H34O5/c1-3-4-5-11-20(24)16-14-18-9-6-7-10-19(18)15-17-22(26)21(25)12-8-13-23(27)28-2/h6-7,9-10,14-17,20-22,24-26H,3-5,8,11-13H2,1-2H3/b16-14+,17-15+/t20-,21+,22-/m1/s1
InChIKey
CHUQDPKHYXGMEB-IQOAYPBESA-N
Chemical Structure
2D Structure
2D structure of BLXA4-me
CAS: 362516-29-8
CID: 10222011
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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