ChemSpider 2D Image | (2S,3S)-11-Hydroxy-1-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-5-undecen-3-yl acetate | C27H35NO9

(2S,3S)-11-Hydroxy-1-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-5-undecen-3-yl acetate

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID5100151

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-11-Hydroxy-1-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-5-undecen-3-yl acetate [ACD/IUPAC Name]
(2S,3S)-11-Hydroxy-1-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methoxy-6-(3-methylphenyl)-1,4,7-trioxo-5-undecen-3-yl-acetat [German] [ACD/IUPAC Name]
5-Undecene-1,4,7-trione, 3-(acetyloxy)-11-hydroxy-2-methoxy-1-[(4S)-4-(1-methylethyl)-2-oxo-3-oxazolidinyl]-6-(3-methylphenyl)-, (2S,3S)- [ACD/Index Name]
Acétate de (2S,3S)-11-hydroxy-1-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-méthoxy-6-(3-méthylphényl)-1,4,7-trioxo-5-undécén-3-yle [French] [ACD/IUPAC Name]
DDS2_004670
Fold1.1_003262

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

Fold1_001162 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.11
ACD/KOC (pH 5.5): 1561.29
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.11
ACD/KOC (pH 7.4): 1561.29
Polar Surface Area: 137 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 423.1±3.0 cm3

Click to predict properties on the Chemicalize site


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