ChemSpider 2D Image | (3S,4R,5S,10Z)-N-Hydroxy-4-(4-methylphenyl)-2,3-diphenyl-7-[(1R)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-imine | C34H35N3O2

(3S,4R,5S,10Z)-N-Hydroxy-4-(4-methylphenyl)-2,3-diphenyl-7-[(1R)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-imine

  • Molecular FormulaC34H35N3O2
  • Average mass517.661 Da
  • Monoisotopic mass517.272949 Da
  • ChemSpider ID30655446

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4R,5S,10Z)-N-Hydroxy-4-(4-methylphenyl)-2,3-diphenyl-7-[(1R)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-imin [German] [ACD/IUPAC Name]
(3S,4R,5S,10Z)-N-Hydroxy-4-(4-methylphenyl)-2,3-diphenyl-7-[(1R)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-imine [ACD/IUPAC Name]
(3S,4R,5S,10Z)-N-Hydroxy-4-(4-méthylphényl)-2,3-diphényl-7-[(1R)-1-phényléthyl]-1-oxa-2,7-diazaspiro[4.5]décan-10-imine [French] [ACD/IUPAC Name]
1-Oxa-2,7-diazaspiro[4.5]decan-10-one, 4-(4-methylphenyl)-2,3-diphenyl-7-[(1R)-1-phenylethyl]-, oxime, (3S,4R,5S,10Z)- [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: 654.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 157.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 12918.87
ACD/KOC (pH 5.5): 18963.58
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65248.05
ACD/KOC (pH 7.4): 95777.43
Polar Surface Area: 48 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 441.7±7.0 cm3

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