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XTPγS

CAT: 0013-GTR19207372Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19207372Size:5 mg
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Description
XTPγS
CAS Number
723313-37-9
Product Name Alternative
Xanthosine-5'- (γ-thio) -triphosphate, Sodium salt
Purity
≥ 90% (HPLC)
Form
Solid; Color: white to off-white
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]c (=O) [nH]2) O) O
Molecular Formula
C10H15N4O14P3S
Molecular Weight
Theoretical MW: 540.22 g/mol (free acid) ; Detected MW: 539.95 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 276 nm, ε 9.6 L mmol-1 cm-1 (Tris-HCl, pH 7.5) .

Chemical Information

dihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CAS Number723313-37-9
PubChem CID100925674
IUPAC Namedihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular FormulaC10H15N4O14P3S
Molecular Weight540.23
XLogP-4.5
Topological Polar Surface Area301
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity917
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O
InChI
InChI=1S/C10H15N4O14P3S/c15-5-3(1-25-29(19,20)27-30(21,22)28-31(23,24)32)26-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChIKey
IAOZVDCRMYYKMQ-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of dihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CAS: 723313-37-9
CID: 100925674
Formula: C10H15N4O14P3S
MW: 540.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.23
XLogP3-4.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass539.95183333
Monoisotopic Mass539.95183333
Topological Polar Surface Area301 Ų
Heavy Atom Count32
Formal Charge0
Complexity917
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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NU-404-5XTPγS
JBS-NU-602SXTP, S pack
JBS-NU-838SEDA-XTP, S pack
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JBS-NU-404-5XTPγS (5 mg)
JBS-NU-404-1XTPγS (1 mg)
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NU-213SMant-XTP
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