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ITPγS

CAT: 0013-GTR19207360Size: 20 ulDry Ice: NoHazardous: No
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CAT#:0013-GTR19207360Size:20 ul
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ITPγS
CAS Number
77065-87-3
Product Name Alternative
Inosine-5'- (γ-thio) -triphosphate, Sodium salt
Field of Research
Metabolism Research
Concentration
10 mM-11 mM
Purity
≥ 90% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
[C@@H]1 ([C@H] ([C@@H] (O[C@@H]1COP (=O) (OP (=O) (OP (=S) (O) O) O) O) n1c2c (nc1) c (=O) [nH]cn2) O) O
Molecular Formula
C10H15N4O13P3S
Molecular Weight
Theoretical MW: 524.23 g/mol (free acid) ; Detected MW: 523.96 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 249 nm, ε 12.2 L mmol-1 cm-1 (Tris-HCl, pH 7.0) .

Chemical Information

Inosine 5'-(3-thiotriphosphate)
CAS Number77065-87-3
PubChem CID136055774
IUPAC Name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
Molecular FormulaC10H15N4O13P3S
Molecular Weight524.23
XLogP-3.4
Topological Polar Surface Area284
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity886
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O
InChI
InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-28(18,19)26-29(20,21)27-30(22,23)31)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,18,19)(H,20,21)(H,11,12,17)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKey
BPRLNEMHHOIJBX-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of Inosine 5'-(3-thiotriphosphate)
CAS: 77065-87-3
CID: 136055774
Formula: C10H15N4O13P3S
MW: 524.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.23
XLogP3-3.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass523.95691871
Monoisotopic Mass523.95691871
Topological Polar Surface Area284 Ų
Heavy Atom Count31
Formal Charge0
Complexity886
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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