ChemSpider 2D Image | (3R,5R)-7-[3-(4-Biphenylylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid | C31H38N2O5

(3R,5R)-7-[3-(4-Biphenylylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID25057190

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-[3-(4-Biphenylylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[3-(4-Biphenylylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
(3r,5r)-7-[3-(Biphenyl-4-Ylcarbamoyl)-2-Ethyl-5,6,7,8-Tetrahydrocyclohepta[b]pyrrol-1(4h)-Yl]-3,5-Dihydroxyheptanoic Acid
Acide (3R,5R)-7-[3-(4-biphénylylcarbamoyl)-2-éthyl-5,6,7,8-tétrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
Cyclohepta[b]pyrrole-1(4H)-heptanoic acid, 3-[([1,1'-biphenyl]-4-ylamino)carbonyl]-2-ethyl-5,6,7,8-tetrahydro-β,δ-dihydroxy-, (βR,δR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 31.02
ACD/KOC (pH 5.5): 170.10
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 112 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement