ChemSpider 2D Image | (6E)-7-{4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid | C21H26FN3O6S

(6E)-7-{4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC21H26FN3O6S
  • Average mass467.511 Da
  • Monoisotopic mass467.152649 Da
  • ChemSpider ID95781562

More details:

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

(6E)-7-{4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(6E)-7-{4-(4-Fluorphenyl)-6-isopropyl-2-[(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (6E)- [ACD/Index Name]
Acide (6E)-7-{4-(4-fluorophényl)-6-isopropyl-2-[(méthylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 333.3±3.0 cm3

Click to predict properties on the Chemicalize site


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