ChemSpider 2D Image | (4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl}-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid | C25H28N2O6

(4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl}-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

  • Molecular FormulaC25H28N2O6
  • Average mass452.500 Da
  • Monoisotopic mass452.194733 Da
  • ChemSpider ID26519518

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl}-2,2,5-trimethyl-1,3-oxazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanyl}-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid [ACD/IUPAC Name]
252554-79-3 [RN]
4-Oxazolidinecarboxylic acid, 3-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxopropyl]-2,2,5-trimethyl-, (4S,5R)- [ACD/Index Name]
Acide (4S,5R)-3-{N-[(9H-fluorén-9-ylméthoxy)carbonyl]-L-alanyl}-2,2,5-triméthyl-1,3-oxazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4S,5R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)-L-alanyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid
(4s,5r)-3-(fmoc-ala)-2,2,5-trimethyloxazolidine-4-carboxylic acid
(4S,5R)-3-(Fmoc-Ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid
(4S,5R)-3-(FmoC-Alaninyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid
(4S,5R)-3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 15.76
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 359.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement