ChemSpider 2D Image | tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate | C33H40N2O5

tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate

  • Molecular FormulaC33H40N2O5
  • Average mass544.681 Da
  • Monoisotopic mass544.293701 Da
  • ChemSpider ID23188947

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S,3S,5R)-5-Benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1R,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate
[1-Benzyl-2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318003/
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3807.60
ACD/KOC (pH 5.5): 12724.00
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3807.49
ACD/KOC (pH 7.4): 12723.63
Polar Surface Area: 108 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

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