ChemSpider 2D Image | Methyl N-({[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl]oxy}carbonyl)-O-(2-methyl-2-propanyl)-L-serinate | C26H29NO10

Methyl N-({[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl]oxy}carbonyl)-O-(2-methyl-2-propanyl)-L-serinate

  • Molecular FormulaC26H29NO10
  • Average mass515.509 Da
  • Monoisotopic mass515.179138 Da
  • ChemSpider ID7827010

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Serine, N-[[[(2S,3S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-7-methoxy-4-oxo-2H-1-benzopyran-3-yl]oxy]carbonyl]-O-(1,1-dimethylethyl)-, methyl ester [ACD/Index Name]
Methyl N-({[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl]oxy}carbonyl)-O-(2-methyl-2-propanyl)-L-serinate [ACD/IUPAC Name]
Methyl-N-({[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl]oxy}carbonyl)-O-(2-methyl-2-propanyl)-L-serinat [German] [ACD/IUPAC Name]
N-({[(2S,3S)-2-(1,3-Benzodioxol-5-yl)-7-méthoxy-4-oxo-3,4-dihydro-2H-chromén-3-yl]oxy}carbonyl)-O-(2-méthyl-2-propanyl)-L-sérinate de méthyle [French] [ACD/IUPAC Name]
CMLDBU00003632

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 702.15
ACD/KOC (pH 5.5): 3793.73
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 698.02
ACD/KOC (pH 7.4): 3771.43
Polar Surface Area: 128 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 381.2±5.0 cm3

Click to predict properties on the Chemicalize site


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