ChemSpider 2D Image | 2-Pyridinylmethyl [2-({(2S,4S,5S)-4-hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphenyl-2-hexanyl}carbamoyl)phenyl]carbamate | C39H38N4O6

2-Pyridinylmethyl [2-({(2S,4S,5S)-4-hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphenyl-2-hexanyl}carbamoyl)phenyl]carbamate

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID413903

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[2-({(2S,4S,5S)-4-Hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphényl-2-hexanyl}carbamoyl)phényl]carbamate de 2-pyridinylméthyle [French] [ACD/IUPAC Name]
2-Pyridinylmethyl [2-({(2S,4S,5S)-4-hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphenyl-2-hexanyl}carbamoyl)phenyl]carbamate [ACD/IUPAC Name]
2-Pyridinylmethyl-[2-({(2S,4S,5S)-4-hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphenyl-2-hexanyl}carbamoyl)phenyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[[(1S,3S,4S)-3-hydroxy-4-[(3-hydroxybenzoyl)amino]-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]phenyl]-, 2-pyridinylmethyl ester [ACD/Index Name]
pyridin-2-ylmethyl [2-({(2S,4S,5S)-4-hydroxy-5-[(3-hydroxybenzoyl)amino]-1,6-diphenylhexan-2-yl}carbamoyl)phenyl]carbamate
{2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3-hydroxy-benzoylamino)-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester
CHEMBL333392
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL333392/
N-[(1S,2S,4S)-2-hydroxy-5-phenyl-1-benzyl-4-({2-[(2-pyridylmethoxy)carbonylamino]phenyl}carbonylamino)pentyl](3-hydroxyphenyl)carboxamide

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

AIDS071107 [DBID]
AIDS-071107 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 935.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 187.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10650.48
ACD/KOC (pH 5.5): 26482.14
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10598.17
ACD/KOC (pH 7.4): 26352.09
Polar Surface Area: 150 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 508.9±3.0 cm3

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