ChemSpider 2D Image | Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][2-(~2~H_3_)methyl(~2~H_6_)propyl]amino}-1-phenyl-3-(phosphonooxy)-2-butanyl]carbamate | C25H27D9N3O9PS

Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][2-(2H3)methyl(2H6)propyl]amino}-1-phenyl-3-(phosphonooxy)-2-butanyl]carbamate

  • Molecular FormulaC25H27D9N3O9PS
  • Average mass594.662 Da
  • Monoisotopic mass594.247498 Da
  • ChemSpider ID114392757

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(2S,3R)-4-{[(4-Aminophényl)sulfonyl][2-(2H3)méthyl(2H6)propyl]amino}-1-phényl-3-(phosphonooxy)-2-butanyl]carbamate de tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl][2-(methyl-d3)propyl-1,1,2,3,3,3-d6]amino]-1-(phenylmethyl)-2-(phosphonooxy)propyl]-, tetrahydro-3-furanyl ester [ACD/Index Name]
Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][2-(2H3)methyl(2H6)propyl]amino}-1-phenyl-3-(phosphonooxy)-2-butanyl]carbamate [ACD/IUPAC Name]
Tetrahydro-3-furanyl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl][2-(2H3)methyl(2H6)propyl]amino}-1-phenyl-3-(phosphonooxy)-2-butanyl]carbamat [German] [ACD/IUPAC 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: 1.612
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

Click to predict properties on the Chemicalize site


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