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Agistatin E

CAT: 0498-bs-75708C-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75708C-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144096-48-0
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, methanol, 100% ethanol or acetone.
Smiles
[H][C@]12CC(=O)[C@]3(O)[C@H](O1)[C@H](CC)CC[C@]3(O)O2
Molecular Formula
C11H16O5
Molecular Weight
228.2
Storage Conditions
Stable for 1 year after receipt when stored at -20°C. After reconstitution protect from light at -20°C.
Appearance
Amorphous solid.

Chemical Information

Agistatin E

Agistatin E is a member of dioxanes.

CAS Number144096-48-0
PubChem CID126456099
IUPAC Name(1S,3S,6R,7R,8R)-6-ethyl-3,8-dihydroxy-2,11-dioxatricyclo[5.3.1.03,8]undecan-9-one
Molecular FormulaC11H16O5
Molecular Weight228.24
XLogP-0.4
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity343
SMILES
CC[C@@H]1CC[C@]2([C@]3([C@@H]1O[C@@H](O2)CC3=O)O)O
InChI
InChI=1S/C11H16O5/c1-2-6-3-4-10(13)11(14)7(12)5-8(16-10)15-9(6)11/h6,8-9,13-14H,2-5H2,1H3/t6-,8+,9-,10+,11+/m1/s1
InChIKey
NJLUHFDDAQPMDI-GSLIMFEQSA-N
Chemical Structure
2D Structure
2D structure of Agistatin E
CAS: 144096-48-0
CID: 126456099
Formula: C11H16O5
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass228.09977361
Monoisotopic Mass228.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count16
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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