ChemSpider 2D Image | (2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}{4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}acetic acid | C29H30N2O6

(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}{4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}acetic acid

  • Molecular FormulaC29H30N2O6
  • Average mass502.558 Da
  • Monoisotopic mass502.210388 Da
  • ChemSpider ID25997452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}{4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}acetic acid [ACD/IUPAC Name]
(2S)-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}{4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}{4-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
(2S)-2-[4-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)PHENYL]-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)ACETIC ACID
(2S)-2-[4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
(S)-(4-{[(TERT-BUTOXYCARBONYL)AMINO]METHYL}PHENYL)({[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO})ACETIC ACID
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-(((tert-butoxycarbonyl)amino)methyl)phenyl)acetic acid
205049-68-9 [RN]
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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: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.3±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 22.65
ACD/KOC (pH 5.5): 63.97
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 114 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

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