ChemSpider 2D Image | (6E)-9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine | C15H25N5O20P4

(6E)-9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC15H25N5O20P4
  • Average mass719.276 Da
  • Monoisotopic mass719.004333 Da
  • ChemSpider ID388848

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(6E)-9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
(6E)-9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
(6E)-9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
6H-Purin-6-imine, 1,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-ribofuranosyl]-1-(5-O-phosphono-D-ribofuranosyl)-, (6E)- [ACD/Index Name]
1-(5-Phosphoribosyl)-ATP
N1-(5-phospho-D-ribosyl)-ATP
phosphoribosyl-ATP

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

C02739 [DBID]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1191.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.9±3.0 kJ/mol
Flash Point: 674.1±37.1 °C
Index of Refraction: 1.897
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.94
ACD/LogD (pH 5.5): -14.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 422 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 199.4±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement