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Guanylyl Imidodiphosphate

CAT: 0607-C3593-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3593-10Size:10 mg
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Description
stimulator of adenylate cyclase
CAS Number
148892-91-5
Product Name Alternative
monoanhydride with imidodiphosphoric acid, 5'-guanylic acid, trisodium salt
Field of Research
Others Adenylate cyclase
Purity
≥95.00%
Form
A crystalline solid
Solubility
≤10mg/ml in PBS(pH7.2)
Smiles
O[C@H]1[C@H](N2C=NC3=C2N=C(N)NC3=O)O[C@H](COP(OP(NP(O)([O-])=O)([O-])=O)([O-])=O)[C@H]1O.[Na+].[Na+].[Na+]
Molecular Formula
C10H14N6O13P3·3Na
Molecular Weight
588.1
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Guanosine 5'-(beta,gamma-imido)triphosphate trisodium salt hydrate
CAS Number148892-91-5
PubChem CID136862900
IUPAC Nametrisodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[[hydroxy(oxido)phosphoryl]amino]phosphinate;hydrate
Molecular FormulaC10H16N6Na3O14P3
Molecular Weight606.16
Topological Polar Surface Area307
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity909
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(NP(=O)(O)[O-])[O-])O)O)N=C(NC2=O)N.O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H17N6O13P3.3Na.H2O/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;;1H2/q;3*+1;/p-3/t3-,5-,6-,9-;;;;/m1..../s1
InChIKey
AVHZFABRVPIWCT-ZVQJTLEUSA-K
Chemical Structure
2D Structure
2D structure of Guanosine 5'-(beta,gamma-imido)triphosphate trisodium salt hydrate
CAS: 148892-91-5
CID: 136862900
Formula: C10H16N6Na3O14P3
MW: 606.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight606.16
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass605.96304304
Monoisotopic Mass605.96304304
Topological Polar Surface Area307 Ų
Heavy Atom Count36
Formal Charge0
Complexity909
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