ChemSpider 2D Image | Fmoc-(S)-2-(2-propenyl)Ala-OH | C21H21NO4

Fmoc-(S)-2-(2-propenyl)Ala-OH

  • Molecular FormulaC21H21NO4
  • Average mass351.396 Da
  • Monoisotopic mass351.147064 Da
  • ChemSpider ID24593864
  • 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}-2-methyl-4-pentenoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-4-pentensäure [German] [ACD/IUPAC Name]
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylpent-4-enoic acid
(S)-N-Fmoc-α-2-n-propenylalanine
288617-71-0 [RN]
4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2S)- [ACD/Index Name]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-2-méthyl-4-penténoïque [French] [ACD/IUPAC Name]
Fmoc-(S)-2-(2-propenyl)alanine
Fmoc-(S)-2-(2-propenyl)Ala-OH
Fmoc-(S)-2-amino-2-methyl-4-pentenoic acid
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. 201306
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. 201306

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 564.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.1±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 8.95
ACD/KOC (pH 5.5): 44.24
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 76 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 287.0±3.0 cm3

Click to predict properties on the Chemicalize site






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