ChemSpider 2D Image | 5-[5-(Benzyloxy)-5-oxopentyl] 3-(2-methyl-2-propanyl) (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate | C30H45NO7

5-[5-(Benzyloxy)-5-oxopentyl] 3-(2-methyl-2-propanyl) (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate

  • Molecular FormulaC30H45NO7
  • Average mass531.681 Da
  • Monoisotopic mass531.319580 Da
  • ChemSpider ID8545206

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-4-(Cyclohexylméthyl)-2,2-diméthyl-1,3-oxazolidine-3,5-dicarboxylate de 5-[5-(benzyloxy)-5-oxopentyle] et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3,5-Oxazolidinedicarboxylic acid, 4-(cyclohexylmethyl)-2,2-dimethyl-, 3-(1,1-dimethylethyl) 5-[5-oxo-5-(phenylmethoxy)pentyl] ester, (4S,5R)- [ACD/Index Name]
5-[5-(Benzyloxy)-5-oxopentyl] 3-(2-methyl-2-propanyl) (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate [ACD/IUPAC Name]
5-[5-(Benzyloxy)-5-oxopentyl]-3-(2-methyl-2-propanyl)-(4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidin-3,5-dicarboxylat [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: 598.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.6±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40809.09
ACD/KOC (pH 5.5): 69496.48
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40809.09
ACD/KOC (pH 7.4): 69496.48
Polar Surface Area: 91 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 480.8±3.0 cm3

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