ChemSpider 2D Image | {(2R,6S)-6-(Decyloxy)-4-[(R)-hydroxy(4-nitrophenyl)methyl]-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl acetate | C25H35NO8

{(2R,6S)-6-(Decyloxy)-4-[(R)-hydroxy(4-nitrophenyl)methyl]-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl acetate

  • Molecular FormulaC25H35NO8
  • Average mass477.547 Da
  • Monoisotopic mass477.236267 Da
  • ChemSpider ID26398443

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2R,6S)-6-(Decyloxy)-4-[(R)-hydroxy(4-nitrophenyl)methyl]-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl acetate [ACD/IUPAC Name]
{(2R,6S)-6-(Decyloxy)-4-[(R)-hydroxy(4-nitrophenyl)methyl]-3-oxo-3,6-dihydro-2H-pyran-2-yl}methyl-acetat [German] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 2-[(acetyloxy)methyl]-6-(decyloxy)-4-[(R)-hydroxy(4-nitrophenyl)methyl]-, (2R,6S)- [ACD/Index Name]
Acétate de {(2R,6S)-6-(décyloxy)-4-[(R)-hydroxy(4-nitrophényl)méthyl]-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: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15187.23
ACD/KOC (pH 5.5): 34252.31
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15186.73
ACD/KOC (pH 7.4): 34251.18
Polar Surface Area: 128 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

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