ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(5-carbamoyl-4-oxo-4,5-dihydro-1H-pyrazol-3-yl)-5-O-[ethoxy(hydroxy)phosphoryl]-D-ribitol | C11H18N3O9P

(1S)-1,4-Anhydro-1-(5-carbamoyl-4-oxo-4,5-dihydro-1H-pyrazol-3-yl)-5-O-[ethoxy(hydroxy)phosphoryl]-D-ribitol

  • Molecular FormulaC11H18N3O9P
  • Average mass367.249 Da
  • Monoisotopic mass367.078064 Da
  • ChemSpider ID34226581

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-(5-carbamoyl-4-oxo-4,5-dihydro-1H-pyrazol-3-yl)-5-O-[ethoxy(hydroxy)phosphoryl]-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(5-carbamoyl-4-oxo-4,5-dihydro-1H-pyrazol-3-yl)-5-O-[ethoxy(hydroxy)phosphoryl]-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(5-carbamoyl-4-oxo-4,5-dihydro-1H-pyrazol-3-yl)-5-O-[éthoxy(hydroxy)phosphoryl]-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-[5-(aminocarbonyl)-4,5-dihydro-4-oxo-1H-pyrazol-3-yl]-1,4-anhydro-5-O-(ethoxyhydroxyphosphinyl)-, (1S)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 688.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 370.3±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 72.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -6.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 98.6±7.0 dyne/cm
Molar Volume: 181.6±7.0 cm3

Click to predict properties on the Chemicalize site


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