ChemSpider 2D Image | Methyl (2R)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamoyl}oxy)-2-methylpropanoate | C28H40N2O8S

Methyl (2R)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamoyl}oxy)-2-methylpropanoate

  • Molecular FormulaC28H40N2O8S
  • Average mass564.691 Da
  • Monoisotopic mass564.250549 Da
  • ChemSpider ID28643489

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-3-({[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl][(2S)-2-méthylbutyl]amino}-1-phényl-2-butanyl]carbamoyl}oxy)-2-méthylpropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamoyl}oxy)-2-methylpropanoate [ACD/IUPAC Name]
Methyl-(2R)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenyl-2-butanyl]carbamoyl}oxy)-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[[[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-(phenylmethyl)propyl]amino]carbonyl]oxy]-2-methyl-, methyl ester, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3474.55
ACD/KOC (pH 5.5): 11917.06
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3474.25
ACD/KOC (pH 7.4): 11916.02
Polar Surface Area: 140 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 469.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement