ChemSpider 2D Image | 3'-O-[(2-Carboxy-2-hydroxyethoxy)(hydroxy)phosphoryl]adenosine 5'-(tetrahydrogen triphosphate) | C13H21N5O19P4

3'-O-[(2-Carboxy-2-hydroxyethoxy)(hydroxy)phosphoryl]adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC13H21N5O19P4
  • Average mass675.223 Da
  • Monoisotopic mass674.978088 Da
  • ChemSpider ID113507
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

3'-O-[(2-Carboxy-2-hydroxyethoxy)(hydroxy)phosphoryl]adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
3'-O-[(2-Carboxy-2-hydroxyethoxy)(hydroxy)phosphoryl]adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
3'-O-[(2-Carboxy-2-hydroxyéthoxy)(hydroxy)phosphoryl]adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-[(2-carboxy-2-hydroxyethoxy)hydroxyphosphinyl]-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
101968-93-8 [RN]
3-Phospho-(glyceroyl-γ-triphosphoroyl-5'-adenosine-3'-3-phospho)-4-glyceroyl-γ-triphosphoroyl-5'-adenosine
Adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-carboxy-2-hydroxyethyl hydrogen phosphate), pentamer
Oligophosphoglycerol-ATP
Opg-ATP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 1120.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.7±3.0 kJ/mol
Flash Point: 631.3±37.1 °C
Index of Refraction: 1.843
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -5.60
ACD/LogD (pH 5.5): -14.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 411 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 186.1±7.0 dyne/cm
Molar Volume: 262.7±7.0 cm3

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