ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C36H43N3O7

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

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310000 Da
  • ChemSpider ID25057796

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-{(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-Amino(hydroxy)méthoxy]-2,3-dihydro-1H-indén-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phényl-2-butanyl}carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S)-3-[(2S,4R)-4-[(1S,2R)-2-[(S)-aminohydroxymethoxy]-2,3-dihydro-1H-inden-1-yl]-3-oxo-2-(phenylmethyl)-2-pyrrolidinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-fura nyl ester [ACD/Index Name]
(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

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

Density: 1.3±0.0 g/cm3
Boiling Point: 800.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±0.0 kJ/mol
Flash Point: 438.0±0.0 °C
Index of Refraction: 1.650
Molar Refractivity: 172.7±0.0 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 5.74
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1254.07
ACD/KOC (pH 7.4): 3669.10
Polar Surface Area: 152 Å2
Polarizability: 68.5±0.0 10-24cm3
Surface Tension: 67.4±0.0 dyne/cm
Molar Volume: 473.2±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement