ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl benzyl[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate | C28H38N2O7S

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

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID23203203

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl benzyl[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-benzyl[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamat [German] [ACD/IUPAC Name]
(3S)-tetrahydrofuran-3-yl benzyl[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate
Benzyl[(2S)-3-{(cyclopentylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-2-hydroxypropyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
carbamic acid, N-[(2S)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxypropyl]-N-(phenylmethyl)-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
Benzyl-{(S)-3-[cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
CHEMBL120874

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.610
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2069.83
ACD/KOC (pH 5.5): 8225.14
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2069.83
ACD/KOC (pH 7.4): 8225.13
Polar Surface Area: 114 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 418.0±5.0 cm3

Click to predict properties on the Chemicalize site


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