ChemSpider 2D Image | thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester | C12H19N6O13P3S

thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester

  • Molecular FormulaC12H19N6O13P3S
  • Average mass580.298 Da
  • Monoisotopic mass579.994385 Da
  • ChemSpider ID4449805

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(S)-{[(S)-{[(R)-[(2-Amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(S)-{[(R)-[(2-Amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-{[(S)-{[(R)-[(2-Amino-2-oxoéthyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[[(S)-[[(R)-[(2-amino-2-oxoethyl)thio]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester

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

112 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1008.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.1±3.0 kJ/mol
Flash Point: 563.4±37.1 °C
Index of Refraction: 1.890
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.33
ACD/LogD (pH 5.5): -10.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 173.2±7.0 dyne/cm
Molar Volume: 235.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement