ChemSpider 2D Image | Triphosphoric acid, mono[(2R)-2-[(1R)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester | C10H14N5O13P3

Triphosphoric acid, mono[(2R)-2-[(1R)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester

  • Molecular FormulaC10H14N5O13P3
  • Average mass505.165 Da
  • Monoisotopic mass504.980103 Da
  • ChemSpider ID4589082

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[(2R)-2-[(1R)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester [ACD/Index Name]
2',3'-dialdehyde ATP
32887-03-9 [RN]
54970-91-1 [RN]
Adenosine 5'-triphosphate 2',3',-dialdehyde
ATP Dialdehyde
Dial-ATP
oATP
Oxidised ATP
Oxidized ATP
More...

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

Density: 2.3±0.1 g/cm3
Boiling Point: 827.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 454.2±37.1 °C
Index of Refraction: 1.776
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -10.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 152.2±7.0 dyne/cm
Molar Volume: 220.9±7.0 cm3

Click to predict properties on the Chemicalize site


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