ChemSpider 2D Image | [(2R,3S,4R,5R)-5-[6-[(1-carboxy-3-hydroxy-3-oxo-propyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate | C14H16N5O11P

[(2R,3S,4R,5R)-5-[6-[(1-carboxy-3-hydroxy-3-oxo-propyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

  • Molecular FormulaC14H16N5O11P
  • Average mass461.279 Da
  • Monoisotopic mass461.059479 Da
  • ChemSpider ID21403004

  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

N6-(1,2-dicarboxyethyl)-adenosine 5'-monophosphate

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

Density:
Boiling Point: 921.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 511.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -7.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability:
Surface Tension:
Molar Volume:

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