ChemSpider 2D Image | (3aR,4R,5R,6aS)-4-[(3S)-3-Hydroxy-5-phenyl-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate | C25H26O5

(3aR,4R,5R,6aS)-4-[(3S)-3-Hydroxy-5-phenyl-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate

  • Molecular FormulaC25H26O5
  • Average mass406.471 Da
  • Monoisotopic mass406.178009 Da
  • ChemSpider ID57564760

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
(3aR,4R,5R,6aS)-4-[(3S)-3-Hydroxy-5-phenyl-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-4-[(3S)-3-Hydroxy-5-phenyl-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl-benzoat [German] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)- [ACD/Index Name]
55444-68-3 [RN]
Benzoate de (3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phényl-1-pentén-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-4-[(3S)-3-Hydroxy-5-phenylpent-1-en-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
MFCD23115440 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 209.1±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 529.18
ACD/KOC (pH 5.5): 3098.56
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.18
ACD/KOC (pH 7.4): 3098.56
Polar Surface Area: 73 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement