ChemSpider 2D Image | (~2~H_3_)Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(~2~H_3_)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(3-pyridinyl)benzyl](1,1,1,16,16,16-~2~H_6_)-2-oxa-4,7,8,12-tetraazahexadec
an-14-yl]carbamate | C38H37D15N6O7

(2H3)Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(3-pyridinyl)benzyl](1,1,1,16,16,16-2H6)-2-oxa-4,7,8,12-tetraazahexadec an-14-yl]carbamate

  • Molecular FormulaC38H37D15N6O7
  • Average mass719.948 Da
  • Monoisotopic mass719.483887 Da
  • ChemSpider ID29342335
  • 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

(2H3)Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(3-pyridinyl)benzyl](1,1,1,16,16,16-2H6)-2-oxa-4,7,8,12-tetraazahexadec 
an-14-yl]carbamate [ACD/IUPAC Name]
(2H3)Methyl-[(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(3-pyridinyl)benzyl](1,1,1,16,16,16-2H6)-2-oxa-4,7,8,12-tetraazahexadec 
an-14-yl]carbamat [German] [ACD/IUPAC Name]
[(5S,10S,11S,14S)-11-Benzyl-10-hydroxy-15,15-bis[(2H3)méthyl]-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-8-[4-(3-pyridinyl)benzyl](1,1,1,16,16,16-2H6)-2-oxa-4,7,8,12-tétraazahexadécan-14-yl]carbama ;te de (2H3)méthyle [French] [ACD/IUPAC Name]
[1092540-51-6] [RN]
1092540-51-6 [RN]
1313183-89-9 [RN]
Atazanivir, deuterated
Compound 120
Deuterated Atazanivir-D3-2
MFCD22427959

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

PubChem Substance ID 329825761 [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: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1474.15
ACD/KOC (pH 5.5): 5971.10
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1922.90
ACD/KOC (pH 7.4): 7788.81
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






Advertisement