ChemSpider 2D Image | 4-Nitrophenyl S-(9H-fluoren-9-ylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteinate | C28H28N2O6S

4-Nitrophenyl S-(9H-fluoren-9-ylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteinate

  • Molecular FormulaC28H28N2O6S
  • Average mass520.597 Da
  • Monoisotopic mass520.166809 Da
  • ChemSpider ID114002

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Nitrophenyl S-(9H-fluoren-9-ylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteinate [ACD/IUPAC Name]
4-Nitrophenyl-S-(9H-fluoren-9-ylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteinat [German] [ACD/IUPAC Name]
L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-, 4-nitrophenyl ester [ACD/Index Name]
S-(9H-Fluorén-9-ylméthyl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-cystéinate de 4-nitrophényle [French] [ACD/IUPAC Name]
4-NITROPHENYL (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-[(9H-FLUOREN-9-YLMETHYL)SULFANYL]PROPANOATE
4-nitrophenyl n-(tert-butoxycarbonyl)-s-(9h-fluoren-9-ylmethyl)-l-cysteinate
84888-30-2 [RN]
Bcfm-cys-pnpe
L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-(9H-fluoren-9-ylmethyl)-, 4-nitrophenyl ester
N-tert-Butyloxycarbonyl-S-9-fluorenylmethylcysteine 4-nitrophenyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 714.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 57451.10
ACD/KOC (pH 5.5): 88773.96
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57388.30
ACD/KOC (pH 7.4): 88676.93
Polar Surface Area: 136 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

Click to predict properties on the Chemicalize site


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