ChemSpider 2D Image | (2S)-2-({N-[(Benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonic acid | C21H31N3O8S

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

  • Molecular FormulaC21H31N3O8S
  • Average mass485.551 Da
  • Monoisotopic mass485.183197 Da
  • ChemSpider ID29399539

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S)-2-({N-[(Benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonic acid [ACD/IUPAC Name]
(2S)-2-({N-[(Benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propansulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinepropanesulfonic acid, α-hydroxy-β-[[(2S)-4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-2-oxo-, (βS)- [ACD/Index Name]
Acide (2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-(2-oxo-3-pyrrolidinyl)-1-propanesulfonique [French] [ACD/IUPAC Name]
GC-376

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
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: 56.9±3.0 dyne/cm
Molar Volume: 363.9±3.0 cm3

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