ChemSpider 2D Image | [(2R,3S,4R,5R)-5-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[hydroxy(oxido)phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-6-imino-purin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate | C15H20N5O20P4

[(2R,3S,4R,5R)-5-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[hydroxy(oxido)phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-6-imino-purin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

  • Molecular FormulaC15H20N5O20P4
  • Average mass714.239 Da
  • Monoisotopic mass713.967957 Da
  • ChemSpider ID128920624
  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

1-(5-phospho-D-ribosyl)-ATP
1-(5-Phosphoribosyl)-ATP
5-phosphoribosyl-ATP
missing
N1-(5-phospho-D-ribosyl)-ATP
phosphoribosyl-ATP

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

Density:
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:
Molar Refractivity:
#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: 437 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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