ChemSpider 2D Image | 2-[(1-{(2R)-1-[(2S,4S)-4-Hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-oxo-2-octanyl}-1H-imidazol-4-yl)carbamoyl]benzenesulfonic acid | C24H32N4O8S

2-[(1-{(2R)-1-[(2S,4S)-4-Hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-oxo-2-octanyl}-1H-imidazol-4-yl)carbamoyl]benzenesulfonic acid

  • Molecular FormulaC24H32N4O8S
  • Average mass536.598 Da
  • Monoisotopic mass536.194092 Da
  • ChemSpider ID8205676

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1-{(2R)-1-[(2S,4S)-4-Hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-oxo-2-octanyl}-1H-imidazol-4-yl)carbamoyl]benzenesulfonic acid [ACD/IUPAC Name]
2-[(1-{(2R)-1-[(2S,4S)-4-Hydroxy-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-oxo-2-octanyl}-1H-imidazol-4-yl)carbamoyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(1-{(2R)-1-[(2S,4S)-4-hydroxy-2-(méthoxycarbonyl)-1-pyrrolidinyl]-1-oxo-2-octanyl}-1H-imidazol-4-yl)carbamoyl]benzènesulfonique [French] [ACD/IUPAC Name]
L-Proline, 4-hydroxy-1-[(2R)-1-oxo-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octyl]-, methyl ester, (4S)- [ACD/Index 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: 1.636
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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