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Search term: NLTUCYMLOPLUHL-KQYNXXCUSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine | C10H16N5O12P3S

5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine

  • Molecular FormulaC10H16N5O12P3S
  • Average mass523.247 Da
  • Monoisotopic mass522.972900 Da
  • ChemSpider ID389291
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

35094-46-3 [RN]
5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[(hydroxymercaptophosphinyl)oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
(R)-RETRO-THIORPHAN
(γ-S)ATP
117750-47-7 [RN]
AB3
Adenosine 5'-(3-thio)triphosphate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

35094-46-3,117750-47-7 [DBID]
AIDS292546 [DBID]
AIDS-292546 [DBID]
C04380 [DBID]
C13742 [DBID]
RRT [DBID]
  • Miscellaneous
    • Chemical Class:

      A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur. ChEBI CHEBI:27575

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 901.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 499.2±37.1 °C
Index of Refraction: 1.920
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.14
ACD/LogD (pH 5.5): -10.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 177.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

Click to predict properties on the Chemicalize site






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