Found 5 results

Search term: MF = 'C_{44}H_{62}O_{6}'
ChemSpider 2D Image | Bis[(3beta,8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl] adipate | C44H62O6

Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] adipate

  • Molecular FormulaC44H62O6
  • Average mass686.959 Da
  • Monoisotopic mass686.454651 Da
  • ChemSpider ID8615026

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

Adipate de bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-én-3-yle] [French] [ACD/IUPAC Name]
Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] adipate [ACD/IUPAC Name]
Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl]adipat [German] [ACD/IUPAC Name]
Hexanedioic acid, bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] ester [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: 746.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 192.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.23
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 733218.50
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 733218.50
Polar Surface Area: 87 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 585.7±5.0 cm3

Click to predict properties on the Chemicalize site


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