ChemSpider 2D Image | (2S)-2-[(N-{[(3-Fluorobenzyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonic acid | C21H30FN3O8S

(2S)-2-[(N-{[(3-Fluorobenzyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonic acid

  • Molecular FormulaC21H30FN3O8S
  • Average mass503.542 Da
  • Monoisotopic mass503.173767 Da
  • ChemSpider ID29399675

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S)-2-[(N-{[(3-Fluorbenzyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propansulfonsäure [German] [ACD/IUPAC Name]
(2S)-2-[(N-{[(3-Fluorobenzyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonic acid [ACD/IUPAC Name]
3-Pyrrolidinepropanesulfonic acid, β-[[(2S)-2-[[[(3-fluorophenyl)methoxy]carbonyl]amino]-4-methyl-1-oxopentyl]amino]-α-hydroxy-2-oxo-, (βS)- [ACD/Index Name]
Acide (2S)-2-[(N-{[(3-fluorobenzyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

Click to predict properties on the Chemicalize site


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