ChemSpider 2D Image | (2R)-1-[5-(10-Hydroxydecyl)-4-(3-methylphenyl)-2-furyl]-3-[(4R)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,3-propanedione | C31H43NO6

(2R)-1-[5-(10-Hydroxydecyl)-4-(3-methylphenyl)-2-furyl]-3-[(4R)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,3-propanedione

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID5141073

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-[5-(10-Hydroxydecyl)-4-(3-methylphenyl)-2-furyl]-3-[(4R)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,3-propandion [German] [ACD/IUPAC Name]
(2R)-1-[5-(10-Hydroxydecyl)-4-(3-methylphenyl)-2-furyl]-3-[(4R)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,3-propanedione [ACD/IUPAC Name]
(2R)-1-[5-(10-Hydroxydécyl)-4-(3-méthylphényl)-2-furyl]-3-[(4R)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-2-méthyl-1,3-propanedione [French] [ACD/IUPAC Name]
1,3-Propanedione, 1-[5-(10-hydroxydecyl)-4-(3-methylphenyl)-2-furanyl]-2-methyl-3-[(4R)-4-(1-methylethyl)-2-oxo-3-oxazolidinyl]-, (2R)- [ACD/Index Name]
Fold1.1_000219

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

Fold1_000452 [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: 698.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.3±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10425.35
ACD/KOC (pH 5.5): 26165.21
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10330.11
ACD/KOC (pH 7.4): 25926.16
Polar Surface Area: 97 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 470.2±3.0 cm3

Click to predict properties on the Chemicalize site


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