ChemSpider 2D Image | tert-butyl {(2S,3S,5R)-5-[4-(2,2-dimethylbut-3-enoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenylhexan-2-yl}carbamate | C32H41N3O4

tert-butyl {(2S,3S,5R)-5-[4-(2,2-dimethylbut-3-enoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenylhexan-2-yl}carbamate

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID409021

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2S,3S,5R)-5-[5-(2,2-Diméthyl-3-butenoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphényl-2-hexanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,3S,5R)-5-[5-(2,2-dimethyl-3-butenoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3S,5R)-5-[5-(2,2-dimethyl-3-butenoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-4-[5-(2,2-dimethyl-1-oxo-3-buten-1-yl)-1H-imidazol-2-yl]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {(2S,3S,5R)-5-[4-(2,2-dimethylbut-3-enoyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenylhexan-2-yl}carbamate
{(1S,2S,4R)-1-Benzyl-4-[5-(2,2-dimethyl-but-3-enoyl)-1H-imidazol-2-yl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester
2-[(1R,3S,4S)-1-Benzyl-4-[[N-(benzyloxycarbonyl)-L-valyl]amino]-3-hydroxy-5-phenylpentyl]-4(5)-(2,2-dimethyl-1-oxo-3-butenyl)imidazole
2-Imidazolyl OHEt isostere

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

AIDS044549 [DBID]
AIDS-044549 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29616.11
ACD/KOC (pH 5.5): 55002.77
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30070.38
ACD/KOC (pH 7.4): 55846.43
Polar Surface Area: 104 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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