ChemSpider 2D Image | 2,4-Dideoxy-6-O-[1-(4-fluorophenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-D-erythro-hexonic acid | C28H34FN3O6

2,4-Dideoxy-6-O-[1-(4-fluorophenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-D-erythro-hexonic acid

  • Molecular FormulaC28H34FN3O6
  • Average mass527.584 Da
  • Monoisotopic mass527.243164 Da
  • ChemSpider ID10169912

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,4-dideoxy-6-O-[1-(4-fluorophenyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-D-erythro-hexonic acid
2,4-Dideoxy-6-O-[1-(4-fluorophenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-D-erythro-hexonic acid [ACD/IUPAC Name]
2,4-Didesoxy-6-O-[1-(4-fluorphenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-D-erythro-hexonsäure [German] [ACD/IUPAC Name]
Acide 2,4-didésoxy-6-O-[1-(4-fluorophényl)-4-isopropyl-3-{méthyl[(1R)-1-phényléthyl]carbamoyl}-1H-pyrazol-5-yl]-D-érythro-hexonique [French] [ACD/IUPAC Name]
D-erythro-Hexonic acid, 2,4-dideoxy-6-O-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-[[methyl[(1R)-1-phenylethyl]amino]carbonyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
(3R,5S)-6-(1-(4-fluorophenyl)-4-isopropyl-3-(methyl((R)-1-phenylethyl)carbamoyl)-1H-pyrazol-5-yloxy)-3,5-dihydroxyhexanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399536/
oxypyrazole, 4y

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.2±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 17.66
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 415.7±7.0 cm3

Click to predict properties on the Chemicalize site


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