ChemSpider 2D Image | (3R,5S,6E)-7-[4-(4-Fluorophenyl)-2-isopropyl-8-(isopropylsulfonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-3,5-dihydroxy-6-heptenoic acid | C27H35FN2O6S

(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2-isopropyl-8-(isopropylsulfonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID9470875

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2-isopropyl-8-(isopropylsulfonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3R,5S,6E)-7-[4-(4-Fluorphenyl)-2-isopropyl-8-(isopropylsulfonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2-(1-methylethyl)-8-[(1-methylethyl)sulfonyl]-1,8-naphthyridin-3-yl]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-[4-(4-fluorophényl)-2-isopropyl-8-(isopropylsulfonyl)-5,6,7,8-tétrahydro-1,8-naphtyridin-3-yl]-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: 1.3±0.1 g/cm3
Boiling Point: 773.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 8.46
ACD/KOC (pH 5.5): 65.76
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 136 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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