ChemSpider 2D Image | tert-butyl {(2S,4S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}carbamate | C31H39N3O5

tert-butyl {(2S,4S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}carbamate

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID405569

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2S,4S,5S)-5-[(4-Amino-3-méthoxybenzoyl)amino]-4-hydroxy-1,6-diphényl-2-hexanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,4S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-4-hydroxy-1,6-diphenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,4S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-4-hydroxy-1,6-diphenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3S,4S)-4-[(4-amino-3-methoxybenzoyl)amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {(2S,4S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}carbamate
[(1S,3S,4S)-4-(4-Amino-3-methoxy-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
Benzamide hydroxyethyl analog
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441065/

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

AIDS028148 [DBID]
AIDS-028148 [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: 782.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3581.86
ACD/KOC (pH 5.5): 12171.83
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3589.54
ACD/KOC (pH 7.4): 12197.92
Polar Surface Area: 123 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

Click to predict properties on the Chemicalize site


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