ChemSpider 2D Image | 2'-[(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl]-4-biphenylcarboxylate | C21H19O5

2'-[(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl]-4-biphenylcarboxylate

  • Molecular FormulaC21H19O5
  • Average mass351.373 Da
  • Monoisotopic mass351.123810 Da
  • ChemSpider ID34276895

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 2'-[(3aR,4S,5R,6aS)-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl]-, ion(1-) [ACD/Index Name]
2'-[(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl]-4-biphenylcarboxylat [German] [ACD/IUPAC Name]
2'-[(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl]-4-biphenylcarboxylate [ACD/IUPAC Name]
2'-[(3aR,4S,5R,6aS)-4-(Hydroxyméthyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl]-4-biphénylcarboxylate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 617.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 9.46
ACD/KOC (pH 5.5): 72.50
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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