ChemSpider 2D Image | 3'-O-{[2-(Carboxyoxy)ethoxy](hydroxy)phosphoryl}adenosine 5'-(tetrahydrogen triphosphate) | C13H21N5O19P4

3'-O-{[2-(Carboxyoxy)ethoxy](hydroxy)phosphoryl}adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC13H21N5O19P4
  • Average mass675.223 Da
  • Monoisotopic mass674.978088 Da
  • ChemSpider ID2338879

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-{[2-(Carboxyoxy)ethoxy](hydroxy)phosphoryl}adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-{[2-(Carboxyoxy)ethoxy](hydroxy)phosphoryl}adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-{[2-(Carboxyoxy)éthoxy](hydroxy)phosphoryl}adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-[[2-(carboxyoxy)ethoxy]hydroxyphosphinyl]-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(PG-ATP)n
124199-67-3 [RN]
Oligo-phosphoglyceroyl-ATP
PG-ATP
Phosphoglyceroyl-ATP
Purinogen

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1073.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.8±3.0 kJ/mol
Flash Point: 602.8±37.1 °C
Index of Refraction: 1.809
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.44
ACD/LogD (pH 5.5): -14.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 171.4±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

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