Found 8 results

Search term: MF = 'C_{38}H_{63}N_{3}O_{6}'
ChemSpider 2D Image | tert-butyl [(2S)-5-({(2S,3S)-1-cyclohexyl-3-hydroxy-5-[(2-methylpropyl)carbamoyl]hex-5-en-2-yl}carbamoyl)-3-hydroxy-7-methyl-1-phenyloctan-2-yl]carbamate | C38H63N3O6

tert-butyl [(2S)-5-({(2S,3S)-1-cyclohexyl-3-hydroxy-5-[(2-methylpropyl)carbamoyl]hex-5-en-2-yl}carbamoyl)-3-hydroxy-7-methyl-1-phenyloctan-2-yl]carbamate

  • Molecular FormulaC38H63N3O6
  • Average mass657.923 Da
  • Monoisotopic mass657.471680 Da
  • ChemSpider ID23204629

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

[(2S)-5-{[(2S,3S)-1-Cyclohexyl-3-hydroxy-5-(isobutylcarbamoyl)-5-hexén-2-yl]carbamoyl}-3-hydroxy-7-méthyl-1-phényl-2-octanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-5-{[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(isobutylcarbamoyl)-5-hexen-2-yl]carbamoyl}-3-hydroxy-7-methyl-1-phenyl-2-octanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-5-{[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(isobutylcarbamoyl)-5-hexen-2-yl]carbamoyl}-3-hydroxy-7-methyl-1-phenyl-2-octanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-4-[[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-[[(2-methylpropyl)amino]carbonyl]-4-penten-1-yl]amino]carbonyl]-2-hydroxy-6-methyl-1-(phenylmethyl)heptyl]-, 1,1-dimethylethyl este r [ACD/Index Name]
carbamic acid, N-[(1S)-4-[[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-[[(2-methylpropyl)amino]carbonyl]-4-penten-1-yl]amino]carbonyl]-2-hydroxy-6-methyl-1-(phenylmethyl)heptyl]-, 1,1-dimethylethyl ester
tert-butyl [(2S)-5-({(2S,3S)-1-cyclohexyl-3-hydroxy-5-[(2-methylpropyl)carbamoyl]hex-5-en-2-yl}carbamoyl)-3-hydroxy-7-methyl-1-phenyloctan-2-yl]carbamate
(2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy-4-isobutylcarbamoyl-pent-4-enylcarbamoyl)-2-hydroxy-6-methyl-heptyl]-carbamic acid tert-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 842.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 463.1±34.3 °C
Index of Refraction: 1.519
Molar Refractivity: 187.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97550.01
ACD/KOC (pH 5.5): 129678.45
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97547.22
ACD/KOC (pH 7.4): 129674.76
Polar Surface Area: 137 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 617.7±3.0 cm3

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