ChemSpider 2D Image | (4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid | C29H36N2O7

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

  • Molecular FormulaC29H36N2O7
  • Average mass524.605 Da
  • Monoisotopic mass524.252258 Da
  • ChemSpider ID28638491
  • 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]-O-(2-methyl-2-propanyl)-L-seryl}-2,2,5-trimethyl-1,3-oxazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S,5R)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-seryl}-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Oxazolidinecarboxylic acid, 3-[(2S)-3-(1,1-dimethylethoxy)-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]-O-(2-méthyl-2-propanyl)-L-séryl}-2,2,5-triméthyl-1,3-oxazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4S,5R)-3-(N-α-(9-Fluorenylmethyloxycarbonyl)-O-t-butyl-L-serinyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid
(4S,5R)-3-[(2S)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
(4S,5R)-3-[(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
1266350-99-5 [RN]
4-Oxazolidinecarboxylic acid, 3-[(2S)-3-(1,1-dimethylethoxy)-2-[[(9H-fluoren-...
fmoc-l-ser(tbu)-l-thr[ψ(me,me)pro]-oh
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 24.37
ACD/KOC (pH 5.5): 72.32
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 3.92
Polar Surface Area: 114 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 431.7±3.0 cm3

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