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Etheno-ATP (ε-ATP)

CAT: 0013-GTR19152899Size: 5 x 500 ulDry Ice: NoHazardous: No
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CAT#:0013-GTR19152899Size:5 x 500 ul
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Description
(1, N6-Etheno-ATP)
CAS Number
60777-99-3
Product Name Alternative
(1, N6-Etheno-ATP), 1, N6-Etheno-adenosine-5'-triphosphate, Sodium salt
Concentration
10 mM-11 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
N1ccn2cnc3n ([C@H]4[C@@H] ([C@@H] ([C@H] (O4) COP (=O) (O) OP (=O) (O) OP (=O) (O) O) O) O) cnc3c12
Molecular Formula
C12H16N5O13P3
Molecular Weight
Theoretical MW: 531.20 g/mol (free acid) ; Detected MW: 531.00 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Fluorescence quenching Exchange rate from G-actin and wild type FRET-studies on conformational changes Formation in erythrocytes andendothelial cells Fluorescence anisotropy changes during protein binding Influence on centromeric binding protein E associated activity. Spectroscopic Propertie: λmax 275 nm, ε 6.0 L mmol-1 cm-1 (Tris-HCl, pH 7.5), λexc 300 nm, λem 415 nm. Specific Ligands: Yeast and muscle actins, Coflin and profilin, P2Y receptor in cardiac endothelial cells.

Chemical Information

1,N[6]-ethenoadenosine 5'-triphosphate, sodium salt

See also: 1,n6-ethenoadenosine 5'-triphosphate sodium salt (annotation moved to).

CAS Number60777-99-3
PubChem CID44134708
IUPAC Namedisodium;[[(3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl)methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC12H14N5Na2O13P3
Molecular Weight575.17
Topological Polar Surface Area263
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity867
SMILES
C1=CN2C=NC3=C(C2=N1)N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C12H16N5O13P3.2Na/c18-8-6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-12(9(8)19)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17;;/h1-2,4-6,8-9,12,18-19H,3H2,(H,23,24)(H,25,26)(H2,20,21,22);;/q;2*+1/p-2
InChIKey
RGJZBNPRRVQVDH-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,N[6]-ethenoadenosine 5'-triphosphate, sodium salt
CAS: 60777-99-3
CID: 44134708
Formula: C12H14N5Na2O13P3
MW: 575.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.17
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass574.95963508
Monoisotopic Mass574.95963508
Topological Polar Surface Area263 Ų
Heavy Atom Count35
Formal Charge0
Complexity867
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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