ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S)-3-{[(4-aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl](2-phenylethyl)carbamate | C28H39N3O6S

(3S)-Tetrahydro-3-furanyl [(2S)-3-{[(4-aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl](2-phenylethyl)carbamate

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID422118

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S)-3-{[(4-aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl](2-phenylethyl)carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S)-3-{[(4-aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl](2-phenylethyl)carbamat [German] [ACD/IUPAC Name]
[(2S)-3-{[(4-Aminophényl)sulfonyl](cyclopentylméthyl)amino}-2-hydroxypropyl](2-phényléthyl)carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2S)-3-[[(4-aminophenyl)sulfonyl](cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
N-((2S)-3-{[(4-Aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl)((3S)oxolan-3-yloxy)-N-(2-phenylethyl)carboxamide

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

AIDS096501 [DBID]
AIDS-096501 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 697.28
ACD/KOC (pH 5.5): 3774.77
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.41
ACD/KOC (pH 7.4): 3775.44
Polar Surface Area: 131 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 415.5±5.0 cm3

Click to predict properties on the Chemicalize site


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