ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[(2S)-2-hydroxy-2-phenylacetyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate | C33H43N3O6

2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[(2S)-2-hydroxy-2-phenylacetyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID422911

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S,3R)-3-Hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[(2S)-2-hydroxy-2-phénylacétyl]amino}-4-phénylbutyl]amino}-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[(2S)-2-hydroxy-2-phenylacetyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-{[(2S)-2-hydroxy-2-phenylacetyl]amino}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-phenylbutyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[1S-[1R*,2S*[2S*,3R*(R*)]]]-[3-[[3-2-Hydroxy-1-oxo-2-phenylethyl)amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester
{(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3S)-2-hydroxy-3-((S)-2-hydroxy-2-phenyl-acetylamino)-4-phenyl-butylamino]-propyl}-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL301382/

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

AIDS097490 [DBID]
AIDS-097490 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 39.80
ACD/KOC (pH 7.4): 213.99
Polar Surface Area: 140 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 480.1±3.0 cm3

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