ChemSpider 2D Image | 2-[(2R,3R,4R,5S,6R)-5-[[(3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-hexanedioic acid | C22H32N5O19P

2-[(2R,3R,4R,5S,6R)-5-[[(3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-hexanedioic acid

  • Molecular FormulaC22H32N5O19P
  • Average mass701.485 Da
  • Monoisotopic mass701.142883 Da
  • ChemSpider ID8050598

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1263.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.8±3.0 kJ/mol
Flash Point: 718.1±37.1 °C
Index of Refraction: 1.824
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -8.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 399 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 126.3±7.0 dyne/cm
Molar Volume: 308.0±7.0 cm3

Click to predict properties on the Chemicalize site


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