ChemSpider 2D Image | {(2R,6S)-4-[(R)-Hydroxy(4-nonylphenyl)methyl]-6-isopropoxy-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl 4-nitrobenzoate | C32H41NO8

{(2R,6S)-4-[(R)-Hydroxy(4-nonylphenyl)methyl]-6-isopropoxy-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl 4-nitrobenzoate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID24824072

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2R,6S)-4-[(R)-Hydroxy(4-nonylphenyl)methyl]-6-isopropoxy-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl 4-nitrobenzoate [ACD/IUPAC Name]
{(2R,6S)-4-[(R)-Hydroxy(4-nonylphenyl)methyl]-6-isopropoxy-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl-4-nitrobenzoat [German] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 4-[(R)-hydroxy(4-nonylphenyl)methyl]-6-(1-methylethoxy)-2-[[(4-nitrobenzoyl)oxy]methyl]-, (2R,6S)- [ACD/Index Name]
4-Nitrobenzoate de {(2R,6S)-4-[(R)-hydroxy(4-nonylphényl)méthyl]-6-isopropoxy-3-oxo-3,6-dihydro-2H-pyran-2-yl}méthyle [French] [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: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 920464.19
ACD/KOC (pH 5.5): 646554.38
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 920460.13
ACD/KOC (pH 7.4): 646551.50
Polar Surface Area: 128 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 471.2±5.0 cm3

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