ChemSpider 2D Image | 6-o-phosphoryl inosine monophosphate | C10H14N4O11P2

6-o-phosphoryl inosine monophosphate

  • Molecular FormulaC10H14N4O11P2
  • Average mass428.186 Da
  • Monoisotopic mass428.013428 Da
  • ChemSpider ID26330028

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-o-phosphoryl inosine monophosphate
9-(5-O-Phosphono-α-L-arabinofuranosyl)-6-(phosphonooxy)-9H-purin [German] [ACD/IUPAC Name]
9-(5-O-Phosphono-α-L-arabinofuranosyl)-6-(phosphonooxy)-9H-purine [ACD/IUPAC Name]
9-(5-O-Phosphono-α-L-arabinofuranosyl)-6-(phosphonooxy)-9H-purine [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-(5-O-phosphono-α-L-arabinofuranosyl)-, dihydrogen phosphate (ester) [ACD/Index Name]
[(2S,3R,4R,5R)-3,4-dihydroxy-5-[6-(phosphonooxy)purin-9-yl]oxolan-2-yl]methoxyphosphonic acid
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-[6-(phosphonooxy)-9H-purin-9-yl]oxolan-2-yl]methoxy}phosphonic acid

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

Density: 2.5±0.1 g/cm3
Boiling Point: 899.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.5±37.1 °C
Index of Refraction: 1.884
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -9.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 167.2±7.0 dyne/cm
Molar Volume: 171.6±7.0 cm3

Click to predict properties on the Chemicalize site


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