ChemSpider 2D Image | [(2R,3S,4R,5R)-5-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate | C15H23N5O14P2

[(2R,3S,4R,5R)-5-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

  • Molecular FormulaC15H23N5O14P2
  • Average mass559.316 Da
  • Monoisotopic mass559.071655 Da
  • ChemSpider ID30776608

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-iminopurin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
[(2R,3S,4R,5S)-5-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-iminopurin-1-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
{[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
{[(2R,3S,4R,5S)-5-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-1-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
1-(5-Phosphoribosyl)-AMP
5-phosphoribosyl-AMP
N-(5'-Phospho-D-ribosyl)-AMP
N-(5-Phospho-D-ribosyl)-AMP
N1-(5-phospho-D-ribosyl)-AMP
phosphoribosyl-AMP

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

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1068.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 599.8±37.1 °C
Index of Refraction: 1.895
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 159.8±7.0 dyne/cm
Molar Volume: 227.0±7.0 cm3

Click to predict properties on the Chemicalize site


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