ChemSpider 2D Image | 3-[(2,6-Dimethoxyphenyl)disulfanyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanine | C26H25NO6S2

3-[(2,6-Dimethoxyphenyl)disulfanyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanine

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID85296791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2,6-Dimethoxyphenyl)disulfanyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanine [ACD/IUPAC Name]
3-[(2,6-Diméthoxyphényl)disulfanyl]-N-[(9H-fluorén-9-ylméthoxy)carbonyl]alanine [French] [ACD/IUPAC Name]
Alanine, 3-[(2,6-dimethoxyphenyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
1403834-73-0 [RN]
atoms 36 bonds 39
Fmoc-L-Cys(S-DMP)-OH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 49.67
ACD/KOC (pH 5.5): 109.05
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 7.81
Polar Surface Area: 145 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

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