ChemSpider 2D Image | Methyl (4S,5S)-4-(acetoxymethyl)-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-decen-1-yl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate | C33H49NO7

Methyl (4S,5S)-4-(acetoxymethyl)-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-decen-1-yl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

  • Molecular FormulaC33H49NO7
  • Average mass571.745 Da
  • Monoisotopic mass571.350891 Da
  • ChemSpider ID9619378

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5S)-4-(Acétoxyméthyl)-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-décén-1-yl]-2-phényl-4,5-dihydro-1,3-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 4-[(acetyloxy)methyl]-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-decen-1-yl]-4,5-dihydro-2-phenyl-, methyl ester, (4S,5S)- [ACD/Index Name]
Methyl (4S,5S)-4-(acetoxymethyl)-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-decen-1-yl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-(4S,5S)-4-(acetoxymethyl)-5-[(3Z)-10-(2-hexyl-1,3-dioxolan-2-yl)-3-decen-1-yl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 638.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 166.2±21.8 °C
Index of Refraction: 1.528
Molar Refractivity: 159.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 895641.31
ACD/KOC (pH 5.5): 634004.13
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 895747.56
ACD/KOC (pH 7.4): 634079.31
Polar Surface Area: 93 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 517.3±7.0 cm3

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