ChemSpider 2D Image | (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid | C20H19NO6

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC20H19NO6
  • Average mass369.368 Da
  • Monoisotopic mass369.121246 Da
  • ChemSpider ID24571222
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester [ACD/Index Name]
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-oxobutanoic acid
(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-oxobutanoic acid (non-preferred name)
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
(2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(methoxycarbonyl)propanoic acid
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic ac id
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43170]
    • Safety:

      20/21/22 Novochemy [NC-43170]
      20/21/36/37/39 Novochemy [NC-43170]
      GHS07; GHS09 Novochemy [NC-43170]
      H332; H403 Novochemy [NC-43170]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43170]
      Warning Novochemy [NC-43170]
      Xn Novochemy [NC-43170]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 613.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.08
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 279.2±3.0 cm3

Click to predict properties on the Chemicalize site






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