ChemSpider 2D Image | (2R,3R)-2,3-Dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]-1-pyrrolidinyl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide | C24H30N6O6S2

(2R,3R)-2,3-Dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]-1-pyrrolidinyl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide

  • Molecular FormulaC24H30N6O6S2
  • Average mass562.662 Da
  • Monoisotopic mass562.166809 Da
  • ChemSpider ID26325950
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3R)-2,3-Dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]-1-pyrrolidinyl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamid [German] [ACD/IUPAC Name]
(2R,3R)-2,3-Dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]-1-pyrrolidinyl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide [ACD/IUPAC Name]
(2R,3R)-2,3-Dihydroxy-4-{(2R)-2-[2-(méthylamino)-5-(méthylsulfonyl)-1,3-thiazol-4-yl]-1-pyrrolidinyl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phényl]éthyl}butanamide [French] [ACD/IUPAC Name]
(2r,3r)-2,3-Dihydroxy-4-{(2r)-2-[2-(Methylamino)-5-(Methylsulfonyl)-1,3-Thiazol-4-Yl]pyrrolidin-1-Yl}-4-Oxo-N-{(1r)-1-[4-(1h-Pyrazol-1-Yl)phenyl]ethyl}butanamide
1-Pyrrolidinebutanamide, α,β-dihydroxy-2-[2-(methylamino)-5-(methylsulfonyl)-4-thiazolyl]-γ-oxo-N-[(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl]-, (αR,βR,2R)- [ACD/Index Name]

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

786 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.03
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.04
Polar Surface Area: 203 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 366.0±7.0 cm3

Click to predict properties on the Chemicalize site






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