ChemSpider 2D Image | (2S)-4-[(5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | C29H36N2O7

(2S)-4-[(5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

  • Molecular FormulaC29H36N2O7
  • Average mass524.605 Da
  • Monoisotopic mass524.252258 Da
  • ChemSpider ID9481979
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-4-[(5R)-2,2-Dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
(2S)-4-[(5R)-2,2-Dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
(2S)-4-[(5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
5-Oxazolidinebutanoic acid, 3-[(1,1-dimethylethoxy)carbonyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-, (αS,5R)- [ACD/Index Name]
Acide (2S)-4-[(5R)-2,2-diméthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
MFCD09998732 [MDL number]
(2S,5R)-2-Amino-4-[3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-5-yl]butanoic acid N2-FMOC protected
(2S,5R)-2-Amino-4-[3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-5-yl]butanoic acid, N2-FMOC protected
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((R)-3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidin-5-yl)butanoic acid
[441020-33-3] [RN]
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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: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 139.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 19.12
ACD/KOC (pH 5.5): 74.52
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 114 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 431.7±3.0 cm3

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