ChemSpider 2D Image | Methyl N-{[(3beta,5alpha,25R)-3-hydroxyspirost-11-en-12-yl]carbonyl}-L-alaninate | C32H49NO6

Methyl N-{[(3β,5α,25R)-3-hydroxyspirost-11-en-12-yl]carbonyl}-L-alaninate

  • Molecular FormulaC32H49NO6
  • Average mass543.735 Da
  • Monoisotopic mass543.356018 Da
  • ChemSpider ID10140044

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

L-Alanine, N-[[(3β,5α,25R)-3-hydroxyspirost-11-en-12-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(3β,5α,25R)-3-hydroxyspirost-11-en-12-yl]carbonyl}-L-alaninate [ACD/IUPAC Name]
Methyl-N-{[(3β,5α,25R)-3-hydroxyspirost-11-en-12-yl]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
N-{[(3β,5α,25R)-3-Hydroxyspirost-11-én-12-yl]carbonyl}-L-alaninate de 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: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1049.13
ACD/KOC (pH 5.5): 5057.19
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1049.13
ACD/KOC (pH 7.4): 5057.19
Polar Surface Area: 94 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 455.5±5.0 cm3

Click to predict properties on the Chemicalize site


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