ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl [(2S,3S)-4-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C36H39N3O7

(3S)-Tetrahydro-3-furanyl [(2S,3S)-4-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID23265872

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3S)-4-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3S)-4-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
(3S)-tetrahydrofuran-3-yl [(2S,3S)-4-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phenylbutan-2-yl]carbamate
[(2S,3S)-4-{(2S)-2-Benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-indén-1-yl]-3-hydroxy-2H-pyrrol-2-yl}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S)-3-[(2S)-4-[(1R,2R)-2-[(aminocarbonyl)oxy]-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2-(phenylmethyl)-2H-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
carbamic acid, N-[(1S,2S)-3-[(2S)-4-[(1R,2R)-2-[(aminocarbonyl)oxy]-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-2-(phenylmethyl)-2H-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester
carbamic acid (1R,2R)-1-((S)-5-benzyl-5-{(2S,3S)-2-hydroxy-4-phenyl-3-[(S)-(tetrahydro-furan-3-yl)oxycarbonylamino]-butyl}-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)-indan-2-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 858.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.7±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 169.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1810.55
ACD/KOC (pH 5.5): 7114.72
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2066.79
ACD/KOC (pH 7.4): 8121.65
Polar Surface Area: 153 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 459.9±7.0 cm3

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