Found 1 result

Search term: InChIKey=AXFNSZQTTOWMGU-WOUKDFQISA-L (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-demethylwyosine 5'-monophosphate | C13H16N5O8P

4-demethylwyosine 5'-monophosphate

  • Molecular FormulaC13H16N5O8P
  • Average mass401.269 Da
  • Monoisotopic mass401.073639 Da
  • ChemSpider ID29368236

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-demethylwyosine 5'-monophosphate
6-Methyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
6-Methyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
6-Méthyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 3,5-dihydro-6-methyl-3-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 843.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.2±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 125.7±7.0 dyne/cm
Molar Volume: 179.7±7.0 cm3

Click to predict properties on the Chemicalize site


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