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AP3A - Solution

CAT: 0013-GTR19207322Size: 50 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207322Size:50 µL
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Description
AP3A - Solution
CAS Number
5959-90-0
Product Name Alternative
P1- (5'-Adenosyl) P3- (5'-adenosyl) 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
O[C@H]1[C@H] (n2cnc3c (N) ncnc23) O[C@H] (COP (=O) (OP (=O) (O) OP (=O) (O) OC[C@@H]2[C@H] ([C@H] ([C@@H] (O2) n2cnc3c (N) ncnc23) O) O) O) [C@H]1O
Molecular Formula
C20H27N10O16P3
Molecular Weight
Theoretical MW: 756.41 g/mol (free acid) ; Detected MW: 756.08 g/mol (free acid)
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 259 nm, ε 27.0 L mmol-1 cm-1 (Tris-HCl, pH 7.5) . Specific Ligands: Ligand for P2X and P2Y receptors: Agonist at P2Y 1receptor, at P2Y 12 and P2Y 13receptors and for P2X1-P2X 4purinoreceptors.

Chemical Information

Ap3A

P(1),P(3)-bis(5'-adenosyl) triphosphate is a diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P1- and P3-positions. It has a role as a mouse metabolite. It is a conjugate acid of a P(1),P(3)-bis(5'-adenosyl) triphosphate(3-).

CAS Number5959-90-0
PubChem CID165381
IUPAC Namebis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular FormulaC20H27N10O16P3
Molecular Weight756.4
XLogP-7.2
Topological Polar Surface Area387
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Heavy Atom Count49
Formal Charge0
Complexity1240
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N
InChI
InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey
QCICUPZZLIQAPA-XPWFQUROSA-N
Chemical Structure
2D Structure
2D structure of Ap3A
CAS: 5959-90-0
CID: 165381
Formula: C20H27N10O16P3
MW: 756.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.4
XLogP3-7.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Exact Mass756.08193580
Monoisotopic Mass756.08193580
Topological Polar Surface Area387 Ų
Heavy Atom Count49
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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