ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-1-(4-biphenylyl)-3-hydroxy-2-butanyl]carbamate | C31H39N3O6S

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-1-(4-biphenylyl)-3-hydroxy-2-butanyl]carbamate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID28532293

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-1-(4-biphenylyl)-3-hydroxy-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-1-(4-biphenylyl)-3-hydroxy-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-1-(4-biphénylyl)-3-hydroxy-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-1-([1,1'-biphenyl]-4-ylmethyl)-2-hydroxypropyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2678.57
ACD/KOC (pH 5.5): 9891.60
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2678.59
ACD/KOC (pH 7.4): 9891.68
Polar Surface Area: 140 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 445.7±5.0 cm3

Click to predict properties on the Chemicalize site


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