ChemSpider 2D Image | Methyl {(5S,10S,11S,14S,15S)-11-benzyl-5-[(2S)-2-butanyl]-10-hydroxy-15-methyl-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazaheptadecan-14-yl}carbamate | C38H52N6O7

Methyl {(5S,10S,11S,14S,15S)-11-benzyl-5-[(2S)-2-butanyl]-10-hydroxy-15-methyl-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazaheptadecan-14-yl}carbamate

  • Molecular FormulaC38H52N6O7
  • Average mass704.856 Da
  • Monoisotopic mass704.389771 Da
  • ChemSpider ID411177

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(5S,10S,11S,14S,15S)-11-Benzyl-5-[(2S)-2-butanyl]-10-hydroxy-15-méthyl-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tétraazaheptadécan-14-yl}carbamate de méthyle [French] [ACD/IUPAC Name]
Methyl {(5S,10S,11S,14S,15S)-11-benzyl-5-[(2S)-2-butanyl]-10-hydroxy-15-methyl-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazaheptadecan-14-yl}carbamate [ACD/IUPAC Name]
Methyl-{(5S,10S,11S,14S,15S)-11-benzyl-5-[(2S)-2-butanyl]-10-hydroxy-15-methyl-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tetraazaheptadecan-14-yl}carbamat [German] [ACD/IUPAC Name]
1-[4-(Pyridin-2-yl)-phenyl]-4(S)-hydroxy-5(S)-2,5-bis[N-(N-methoxycarbonyl-(L)-iso-leucyl)amino]-6-phenyl-2-azahexane

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

AIDS057756 [DBID]
AIDS-057756 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1377.57
ACD/KOC (pH 5.5): 5916.56
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1568.05
ACD/KOC (pH 7.4): 6734.69
Polar Surface Area: 171 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 598.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement