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STA 2

CAT: 0931-T34710-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34710-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89617-02-7
Target
Others
Related Pathways
Others
Bioactivity
STA 2 is an analogue of TXA2, a thromboxane receptor in the colonic epithelium.
Smiles
C(/C=C\CCCC(O)=O)[C@H]1[C@@]2(C[C@@](S2)(C[C@@H]1/C=C/[C@H](CCCCC)O)[H])[H]
Molecular Formula
C21H34O3S
Molecular Weight
366.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Heptenoic acid, 7-((1S,2R,4R,5S)-3-((1E,3S)-3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (5Z)-
CAS Number89617-02-7
PubChem CID6439867
IUPAC Name(Z)-7-[(1S,2R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Molecular FormulaC21H34O3S
Molecular Weight366.6
XLogP4.9
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity460
SMILES
CCCCC[C@@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O
InChI
InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1
InChIKey
OVGWMUWIRHGGJP-YUOWJYRGSA-N
Chemical Structure
2D Structure
2D structure of 5-Heptenoic acid, 7-((1S,2R,4R,5S)-3-((1E,3S)-3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (5Z)-
CAS: 89617-02-7
CID: 6439867
Formula: C21H34O3S
MW: 366.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass366.22286612
Monoisotopic Mass366.22286612
Topological Polar Surface Area82.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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