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Etheno-AppNHp (ε-AppNHp)

CAT: 0013-GTR19152136Size: 40 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19152136Size:40 µL
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Description
Epsilon-AMPPNP (1, N6-Etheno-AppNHp)
CAS Number
78368-53-3
Product Name Alternative
Epsilon-AMPPNP, 1 N6-Etheno-AppNHp
Concentration
10 mM-11 mM
Purity
≥ 90% (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) NP (=O) (O) O) O) O) cnc3c12
Molecular Formula
C12H17N6O12P3
Molecular Weight
Theoretical MW: 530.22 g/mol (free acid) ; Detected MW: 530.01 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 275 nm, ε 6.0 L mmol-1 cm-1 (Tris-HCl, pH 7.5), λexc 300 nm, λem 415 nm.

Chemical Information

Ethenoadenylyl imidodiphosphate

polarized fluorescence reagent

CAS Number78368-53-3
PubChem CID196533
IUPAC Name[[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Molecular FormulaC12H17N6O12P3
Molecular Weight530.22
XLogP-4.8
Topological Polar Surface Area260
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity879
SMILES
C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O
InChI
InChI=1S/C12H17N6O12P3/c19-8-6(3-28-33(26,27)30-32(24,25)16-31(21,22)23)29-12(9(8)20)18-5-14-7-10-13-1-2-17(10)4-15-11(7)18/h1-2,4-6,8-9,12,19-20H,3H2,(H,26,27)(H4,16,21,22,23,24,25)/t6-,8-,9-,12-/m1/s1
InChIKey
RQUIQSICXGYQBT-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of Ethenoadenylyl imidodiphosphate
CAS: 78368-53-3
CID: 196533
Formula: C12H17N6O12P3
MW: 530.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.22
XLogP3-4.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass530.01173099
Monoisotopic Mass530.01173099
Topological Polar Surface Area260 Ų
Heavy Atom Count33
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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