ChemSpider 2D Image | Benzyl (3S,7S,8aS)-3-methyl-7-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-3,6-diphenylhexahydro[1,3]oxazolo[3,4-a]pyridine-6-carboxylate | C34H37NO6

Benzyl (3S,7S,8aS)-3-methyl-7-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-3,6-diphenylhexahydro[1,3]oxazolo[3,4-a]pyridine-6-carboxylate

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID9516853

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,7S,8aS)-3-Méthyl-7-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-5-oxo-3,6-diphénylhexahydro[1,3]oxazolo[3,4-a]pyridine-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
3H-Oxazolo[3,4-a]pyridine-7-acetic acid, hexahydro-3-methyl-5-oxo-3,6-diphenyl-6-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, (3S,7S,8aS)- [ACD/Index Name]
Benzyl (3S,7S,8aS)-3-methyl-7-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-3,6-diphenylhexahydro[1,3]oxazolo[3,4-a]pyridine-6-carboxylate [ACD/IUPAC Name]
Benzyl-(3S,7S,8aS)-3-methyl-7-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-5-oxo-3,6-diphenylhexahydro[1,3]oxazolo[3,4-a]pyridin-6-carboxylat [German] [ACD/IUPAC 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: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16339.46
ACD/KOC (pH 5.5): 36092.97
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16339.46
ACD/KOC (pH 7.4): 36092.97
Polar Surface Area: 82 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 448.6±5.0 cm3

Click to predict properties on the Chemicalize site


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