ChemSpider 2D Image | Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-{4-[(~2~H_4_)-2-pyridinyl]benzyl}(10-~2~H)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate | C38H47D5N6O7

Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-{4-[(2H4)-2-pyridinyl]benzyl}(10-2H)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate

  • Molecular FormulaC38H47D5N6O7
  • Average mass709.886 Da
  • Monoisotopic mass709.421143 Da
  • ChemSpider ID58793415

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(5S,10S,11S,14S)-11-Benzyl-10-hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-8-{4-[(2H4)-2-pyridinyl]benzyl}(10-2H)-2-oxa-4,7,8,12-tétraazahexadécan-14-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(methoxycarbonyl)amino]-3,3-dimethyl-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl-2-d]-2-[[4-(2-pyridinyl-d4)phenyl]methy 
l]hydrazide, (2S)- [ACD/Index Name]
Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-{4-[(2H4)-2-pyridinyl]benzyl}(10-2H)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate [ACD/IUPAC Name]
Methyl-[(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-{4-[(2H4)-2-pyridinyl]benzyl}(10-2H)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamat [German] [ACD/IUPAC Name]
198904-31-3 [RN]
Atazanavir [USAN] [Wiki]
MFCD08435966 [MDL number]

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: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1654.44
ACD/KOC (pH 5.5): 6745.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1883.23
ACD/KOC (pH 7.4): 7678.09
Polar Surface Area: 171 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 597.9±3.0 cm3

Click to predict properties on the Chemicalize site


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