ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate | C30H45N3O6

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

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID422666

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3R)-3-Hydroxy-4-{[(2S,3S)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}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-{[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-3-hydroxy-4-{[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[(1S,2S)-1-Benzyl-3-((2R,3S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
[1S-[1R*,2S*(2R*,3R*)]][3-[[3-[[(1,1-Dimethylethoxy)carbonyl[amino]-2-hydroxy-4-phenylbu-tyl]amino]-2-hydroxy-1-(phenylmethyl)propyl] carbamic acid, 1,1-dimethylethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL295314/

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

AIDS097225 [DBID]
AIDS-097225 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.36
ACD/KOC (pH 5.5): 15.64
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 153.21
ACD/KOC (pH 7.4): 549.33
Polar Surface Area: 129 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 477.1±3.0 cm3

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