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

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

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID401422

  • 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-(Cyclopentylcarbonyl)-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-(cyclopentylcarbonyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3S,5R)-5-[5-(cyclopentylcarbonyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-4-[5-(cyclopentylcarbonyl)-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-(cyclopentylcarbonyl)-1H-imidazol-2-yl]-3-hydroxy-1,6-diphenylhexan-2-yl}carbamate
[(1S,2S,4R)-1-Benzyl-4-(5-cyclopentanecarbonyl-1H-imidazol-2-yl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
[2-Hydroxy-5-phenyl-1-(phenylmethyl)-4-(4-cyclopentylcarbonyl)-1H-imidazol-2-yl)pentyl]carbamic acid, 1,1-dimethylethyl ester [1S-(1R*,2R*,4S*)]
2-Imidazolyl HOEt isostere
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312709/

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

AIDS006589 [DBID]
AIDS-006589 [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: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10686.39
ACD/KOC (pH 5.5): 26417.32
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10991.73
ACD/KOC (pH 7.4): 27172.15
Polar Surface Area: 104 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 451.4±3.0 cm3

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