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AP5A

CAT: 0013-GTR19207318Size: 50 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207318Size:50 µL
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Description
AP5A
CAS Number
41708-91-2
Product Name Alternative
P1- (5'-Adenosyl) P5- (5'-adenosyl) pentaphosphate, 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
OP (=O) (OP (=O) (OP (=O) (OC[C@H]1O[C@@H] (n2cnc3c (N) ncnc23) [C@H] (O) [C@@H]1O) O) O) OP (=O) (O) OP (=O) (O) OC[C@@H]1[C@H] ([C@H] ([C@@H] (O1) n1cnc2c (N) ncnc12) O) O
Molecular Formula
C20H29N10O22P5
Molecular Weight
Theoretical MW: 916.37 g/mol (free acid) ; Detected MW: 916.01 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 P2Y and P2X receptors: Agonist at P2Y 1receptor, at P2X 1receptor, P2X 1-P2X 4, P2Y1, 2, 4, 12 receptors and vascular purinoreceptor P2X.

Chemical Information

Bis(Adenosine)-5'-Pentaphosphate

P(1),P(5)-bis(5'-adenosyl) pentaphosphate is a diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the P1- and P5-positions. It has a role as a vasoconstrictor agent and an Escherichia coli metabolite. It is a conjugate acid of a P(1),P(5)-bis(5'-adenosyl) pentaphosphate(5-).

CAS Number41708-91-2
PubChem CID440210
IUPAC Namebis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular FormulaC20H29N10O22P5
Molecular Weight916.4
XLogP-9.4
Topological Polar Surface Area481
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Heavy Atom Count57
Formal Charge0
Complexity1580
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)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/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)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)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey
OIMACDRJUANHTJ-XPWFQUROSA-N
Chemical Structure
2D Structure
2D structure of Bis(Adenosine)-5'-Pentaphosphate
CAS: 41708-91-2
CID: 440210
Formula: C20H29N10O22P5
MW: 916.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight916.4
XLogP3-9.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count30
Rotatable Bond Count16
Exact Mass916.01459758
Monoisotopic Mass916.01459758
Topological Polar Surface Area481 Ų
Heavy Atom Count57
Formal Charge0
Complexity1580
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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