Found 3 results

Search term: BAXBEDRTWUIDIQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,4R,5R)-1,3,4-Triphenyl-7-[(1R)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-one | C33H32N2O2

(1R,4R,5R)-1,3,4-Triphenyl-7-[(1R)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-one

  • Molecular FormulaC33H32N2O2
  • Average mass488.619 Da
  • Monoisotopic mass488.246368 Da
  • ChemSpider ID24636738

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4R,5R)-1,3,4-Triphenyl-7-[(1R)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-on [German] [ACD/IUPAC Name]
(1R,4R,5R)-1,3,4-Triphenyl-7-[(1R)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-one [ACD/IUPAC Name]
(1R,4R,5R)-1,3,4-Triphényl-7-[(1R)-1-phényléthyl]-2-oxa-3,7-diazaspiro[4.5]décan-10-one [French] [ACD/IUPAC Name]
2-Oxa-3,7-diazaspiro[4.5]decan-10-one, 1,3,4-triphenyl-7-[(1R)-1-phenylethyl]-, (1R,4R,5R)- [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: 636.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 4641.49
ACD/KOC (pH 5.5): 12056.42
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9125.03
ACD/KOC (pH 7.4): 23702.52
Polar Surface Area: 33 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

Click to predict properties on the Chemicalize site


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