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AppNHp

CAT: 0013-GTR19152651Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19152651Size:10 mg
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Description
(AMPPNP)
CAS Number
72957-42-7
Product Name Alternative
(AMPPNP), Adenosine-5'-[ (β, γ) -imido]triphosphate, Tetralithium salt
Purity
≥ 95% (HPLC)
Form
Solid; Color: white to off-white
Smiles
Nc1c2c (n ([C@H]3[C@@H] ([C@@H] ([C@H] (O3) COP (=O) (O) OP (=O) (O) NP (=O) (O) O) O) O) cn2) ncn1
Molecular Formula
C10H17N6O12P3
Molecular Weight
Theoretical MW: 506.19 g/mol (free acid) ; Detected MW: 506.01 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
X-ray analysis, Hydrolyse studies, Agonistic ligand, mainly for nucleoside receptor A 1 Nucleosidephosphates stabilized against hydrolytic degradation can directly bind to nucleoside receptors. Spectroscopic Propertie: λmax 259 nm, ε 15.4 L mmol-1 cm-1 (Tris-HCl, pH 7.5) . Specific Ligands: Thymidylate kinase, for P2Y 2receptor.

Chemical Information

5'-adenylic acid, monoanhydride with imidodiphosphoric acid, tetralithium salt
CAS Number72957-42-7
PubChem CID10196276
IUPAC Nametetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatoamino)phosphinate
Molecular FormulaC10H13Li4N6O12P3
Molecular Weight530.0
Topological Polar Surface Area293
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity773
SMILES
[Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(NP(=O)([O-])[O-])[O-])O)O)N
InChI
InChI=1S/C10H17N6O12P3.4Li/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKey
FDBDJIGGLGUOPP-KWIZKVQNSA-J
Chemical Structure
2D Structure
2D structure of 5'-adenylic acid, monoanhydride with imidodiphosphoric acid, tetralithium salt
CAS: 72957-42-7
CID: 10196276
Formula: C10H13Li4N6O12P3
MW: 530.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Exact Mass530.0444446
Monoisotopic Mass530.0444446
Topological Polar Surface Area293 Ų
Heavy Atom Count35
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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JBS-NU-1104Etheno-AppNHp (ε-AppNHp)
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JBS-NU-810EDA-AppNHp
NU-305LNPE-caged-AppNHp
JBS-NU-1158-Iodo-AppNHp
JBS-NU-407-50AppNHp (50 mg)
JBS-NU-407-10AppNHp (10 mg)
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