ChemSpider 2D Image | Methyl O-allyl-N-(2,4-dimethoxybenzyl)-N-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-pentenoyl]-L-serinate | C36H40N2O8

Methyl O-allyl-N-(2,4-dimethoxybenzyl)-N-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-pentenoyl]-L-serinate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID9483096

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Serine, N-[(2,4-dimethoxyphenyl)methyl]-N-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxo-4-penten-1-yl]-O-2-propen-1-yl-, methyl ester [ACD/Index Name]
Methyl O-allyl-N-(2,4-dimethoxybenzyl)-N-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-pentenoyl]-L-serinate [ACD/IUPAC Name]
Methyl-O-allyl-N-(2,4-dimethoxybenzyl)-N-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-pentenoyl]-L-serinat [German] [ACD/IUPAC Name]
O-Allyl-N-(2,4-diméthoxybenzyl)-N-[(2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-4-pentenoyl]-L-sérinate 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: 788.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.5±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 173.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 107582.50
ACD/KOC (pH 5.5): 139090.41
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 107445.21
ACD/KOC (pH 7.4): 138912.92
Polar Surface Area: 113 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 526.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement