ChemSpider 2D Image | 5'-O-{[({[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine | C22H28N9O13P3S

5'-O-{[({[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine

  • Molecular FormulaC22H28N9O13P3S
  • Average mass751.498 Da
  • Monoisotopic mass751.075134 Da
  • ChemSpider ID13082022

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-{[({[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosin [German] [ACD/IUPAC Name]
5'-O-{[({[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine [ACD/IUPAC Name]
5'-O-{[({[(2-{3-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-4-méthyl-1,3-thiazol-3-ium-5-yl}éthoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazoliumyl]ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, inner salt, ion(2-) [ACD/Index Name]
5'-O-{[({[(2-{3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)phosphinato]oxy}phosphinato)oxy]phosphinato}adenosine
Adenosine thiamine triphosphate
adenosine thiamine triphosphate(2-)
AThTP
ATP-thiamine(2-)
thiamine-ATP(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of adenosine thiamine triphosphate. ChEBI CHEBI:71393

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 390 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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