Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | (4S)-3-{(2S)-2-[(2S)-6-(10-Hydroxydecylidene)-3-oxo-3,6-dihydro-2H-pyran-2-yl]-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one | C32H45NO6

(4S)-3-{(2S)-2-[(2S)-6-(10-Hydroxydecylidene)-3-oxo-3,6-dihydro-2H-pyran-2-yl]-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID5141708

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-3-{(2S)-2-[(2S)-6-(10-Hydroxydecyliden)-3-oxo-3,6-dihydro-2H-pyran-2-yl]-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-{(2S)-2-[(2S)-6-(10-Hydroxydecylidene)-3-oxo-3,6-dihydro-2H-pyran-2-yl]-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-{(2S)-2-[(2S)-6-(10-Hydroxydécylidène)-3-oxo-3,6-dihydro-2H-pyran-2-yl]-3-phénylpropanoyl}-4-isopropyl-5,5-diméthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2S)-2-[(2S)-3,6-dihydro-6-(10-hydroxydecylidene)-3-oxo-2H-pyran-2-yl]-1-oxo-3-phenylpropyl]-5,5-dimethyl-4-(1-methylethyl)-, (4S)- [ACD/Index Name]

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

Fold1_000675 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 683.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5836.19
ACD/KOC (pH 5.5): 17273.79
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5836.19
ACD/KOC (pH 7.4): 17273.79
Polar Surface Area: 93 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 474.4±3.0 cm3

Click to predict properties on the Chemicalize site


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