ChemSpider 2D Image | 2-(Methoxymethyl)-2-propen-1-yl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H39N3O7S

2-(Methoxymethyl)-2-propen-1-yl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID414966

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R)-4-{[(4-Acétamidophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de 2-(méthoxyméthyl)-2-propén-1-yle [French] [ACD/IUPAC Name]
2-(Methoxymethyl)-2-propen-1-yl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-(Methoxymethyl)-2-propen-1-yl-[(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[4-(acetylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 2-(methoxymethyl)-2-propen-1-yl ester [ACD/Index Name]
N-(4-{[((3S,2R)-2-Hydroxy-3-{[2-(methoxymethyl)prop-2-enyloxy]carbonylamino}-4-phenylbutyl)(2-methylpropyl)amino]sulfonyl}phenyl)acetamide

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

AIDS072804 [DBID]
AIDS-072804 [DBID]

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: 1.568
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 694.70
ACD/KOC (pH 5.5): 3764.94
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 694.64
ACD/KOC (pH 7.4): 3764.63
Polar Surface Area: 143 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site


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