ChemSpider 2D Image | 5'-O-[({[2-(2-Carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosine | C17H19N6O12P2S

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

  • Molecular FormulaC17H19N6O12P2S
  • Average mass593.380 Da
  • Monoisotopic mass593.027344 Da
  • ChemSpider ID4449975

  • 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-(2-Carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
5'-O-[({[2-(2-Carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosine [ACD/IUPAC Name]
5'-O-[({[2-(2-Carboxylato-4-méthyl-1,3-thiazol-5-yl)éthoxy]phosphinato}oxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[2-(2-carboxy-4-methyl-5-thiazolyl)ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, ion(3-) [ACD/Index Name]
2-carboxylate-4-methyl-5-&β;-(ethyl adenosine 5-diphosphate) thiazole
2-carboxylate-4-methyl-5-β-(ethyl adenosine 5-diphosphate) thiazole
ADENOSINE DIPHOSPHATE 5-(β-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID
adenylated thiazole
ADP-5-ethyl-4-methylthiazole-2-carboxylate
ADT
  • Miscellaneous

    • Chemical Class:

      A organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid; major species at pH 7.3. ChEBI CHEBI:139151

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

Density:
Boiling Point: 981.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.9±3.0 kJ/mol
Flash Point: 547.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -7.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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