Found 1 result

Search term: 58196685 (Found by CSID)
ChemSpider 2D Image | 6-[(1S,4R,5R,7R)-5-Dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]oct-7-yl]hexanoic acid (non-preferred name) | C24H44O5

6-[(1S,4R,5R,7R)-5-Dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]oct-7-yl]hexanoic acid (non-preferred name)

  • Molecular FormulaC24H44O5
  • Average mass412.603 Da
  • Monoisotopic mass412.318878 Da
  • ChemSpider ID58196685

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-[(1S,4R,5R,7R)-5-Dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]oct-7-yl]hexanoic acid (non-preferred name) [ACD/IUPAC Name]
6-[(1S,4R,5R,7R)-5-Dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]oct-7-yl]hexansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 6-[(1S,4R,5R,7R)-5-dodécyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]oct-7-yl]hexanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Paecilonic acid B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 553.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 178.1±18.1 °C
Index of Refraction: 1.493
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 12796.66
ACD/KOC (pH 5.5): 17830.81
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 204.62
ACD/KOC (pH 7.4): 285.11
Polar Surface Area: 76 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 397.6±3.0 cm3

Click to predict properties on the Chemicalize site


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