AP5G

CAT: 0013-GTR19207328Size: 50 µLDry Ice: NoHazardous: No

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CAT#:0013-GTR19207328Size:50 µL

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Description

AP5G

CAS Number

56983-24-5

Product Name Alternative

P1- (5'-Adenosyl) P5- (5'-guanosyl) pentaphosphate, Triethylammonium salt

Concentration

10 mM-11 mM

Purity

≥ 95% (HPLC)

Form

Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5

Smiles

Nc1[nH]c (=O) c2ncn (c2n1) [C@@H]1O[C@H] (COP (=O) (OP (=O) (OP (=O) (OP (=O) (OP (=O) (OC[C@H]2O[C@@H] (n3cnc4c (N) ncnc34) [C@H] (O) [C@@H]2O) O) O) O) O) O) [C@@H] (O) [C@H]1O

Molecular Formula

C20H29N10O23P5

Molecular Weight

Theoretical MW: 932.37 g/mol (free acid) ; Detected MW: 932.01 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

Substrate replacement at UMP-CMP kinase Crystal structure of complex with GMP kinase Vasoconstriction via activation of P2X-receptors Activation of P2X receptor ion channels. Spectroscopic Propertie: λmax 259 nm, ε 27.0 L mmol-1 cm-1 (Tris-HCl, pH 7.5) . Specific Ligands: Binding to purinoreceptors P2Y1 and P2X, Binding to purinoreceptors P2X3 and rP2X1.

Chemical Information

P1-(5'-Adenosyl)-P5-(5'-guanosyl) pentaphosphate

CAS Number	56983-24-5
PubChem CID	135441208
IUPAC Name	[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular Formula	C20H29N10O23P5
Molecular Weight	932.4
XLogP	-10.2
Topological Polar Surface Area	496
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	29
Rotatable Bond Count	16
Heavy Atom Count	58
Formal Charge	0
Complexity	1840

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=C5N=C(NC6=O)N)O)O)O)O)N

InChI

InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

InChIKey

CNMILLPGDWDFCZ-INFSMZHSSA-N

Chemical Structure

2D Structure

CAS: 56983-24-5

CID: 135441208

Formula: C20H29N10O23P5

MW: 932.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	932.4
XLogP3	-10.2
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	29
Rotatable Bond Count	16
Exact Mass	932.00951220
Monoisotopic Mass	932.00951220
Topological Polar Surface Area	496 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1840
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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