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

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

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID397989

  • 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-{[(2R,3S)-2-hydroxy-3-{[(2-méthyl-2-propanyl)carbamoyl]oxy}-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-{[(2-methyl-2-propanyl)carbamoyl]oxy}-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-{[(2-methyl-2-propanyl)carbamoyl]oxy}-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(1,1-dimethylethyl)-, (1S,2R)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl ester [ACD/Index Name]
(1S-(1R,2S(2S,3R)))-(3-((3-((((1,1-Dimethylethyl)amino)carbonyl)oxy)-2-hydroxy-1-(phenylmethyl)-propyl)carbamic acid, 1,1-dimethylethyl ester
[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[[(1,1-Dimethylethyl)amino]carbonyl]oxy]-2-hydroxy-1-(phenylmethyl)-propyl]carbamic acid, 1,1-dimethylethyl ester
176496-59-6 [RN]

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

AIDS000947 [DBID]
AIDS-000947 [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): 2.14
ACD/BCF (pH 5.5): 5.47
ACD/KOC (pH 5.5): 19.59
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 230.14
ACD/KOC (pH 7.4): 824.49
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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