ChemSpider 2D Image | Ethyl {(6S,11S,12S,15S)-12-benzyl-11-hydroxy-6-isopropyl-16-methyl-4,7,14-trioxo-9-[4-(2-pyridinyl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamate | C38H52N6O7

Ethyl {(6S,11S,12S,15S)-12-benzyl-11-hydroxy-6-isopropyl-16-methyl-4,7,14-trioxo-9-[4-(2-pyridinyl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamate

  • Molecular FormulaC38H52N6O7
  • Average mass704.856 Da
  • Monoisotopic mass704.389771 Da
  • ChemSpider ID411169

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(6S,11S,12S,15S)-12-Benzyl-11-hydroxy-6-isopropyl-16-méthyl-4,7,14-trioxo-9-[4-(2-pyridinyl)benzyl]-3-oxa-5,8,9,13-tétraazaheptadécan-15-yl}carbamate d'éthyle [French] [ACD/IUPAC Name]
Ethyl {(6S,11S,12S,15S)-12-benzyl-11-hydroxy-6-isopropyl-16-methyl-4,7,14-trioxo-9-[4-(2-pyridinyl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamate [ACD/IUPAC Name]
Ethyl-{(6S,11S,12S,15S)-12-benzyl-11-hydroxy-6-isopropyl-16-methyl-4,7,14-trioxo-9-[4-(2-pyridinyl)benzyl]-3-oxa-5,8,9,13-tetraazaheptadecan-15-yl}carbamat [German] [ACD/IUPAC Name]
1-[4-(Pyridin-2-yl)-phenyl]-4(S)-hydroxy-5(S)-2,5-bis[N-(N-ethoxycarbonyl-(L)-valyl)amino]-6-phenyl-2-azahexane

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

AIDS057747 [DBID]
AIDS-057747 [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): 1378.04
ACD/KOC (pH 5.5): 5918.59
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1568.16
ACD/KOC (pH 7.4): 6735.13
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


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