ChemSpider 2D Image | (~2~H_3_)Methyl {(2R)-3-methyl-1-[(2R)-2-{5-[4'-(2-{(2R)-1-[(2R)-3-methyl-2-({[(~2~H_3_)methyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidi nyl]-1-oxo-2-butanyl}carbamate | C40H44D6N8O6

(2H3)Methyl {(2R)-3-methyl-1-[(2R)-2-{5-[4'-(2-{(2R)-1-[(2R)-3-methyl-2-({[(2H3)methyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidi nyl]-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC40H44D6N8O6
  • Average mass744.912 Da
  • Monoisotopic mass744.422974 Da
  • ChemSpider ID107444427

  • 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 {(2R)-3-methyl-1-[(2R)-2-{5-[4'-(2-{(2R)-1-[(2R)-3-methyl-2-({[(2H3)methyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidi
 nyl]-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
(2H3)Methyl-{(2R)-3-methyl-1-[(2R)-2-{5-[4'-(2-{(2R)-1-[(2R)-3-methyl-2-({[(2H3)methyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidi
 nyl]-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2R)-3-Méthyl-1-[(2R)-2-{5-[4'-(2-{(2R)-1-[(2R)-3-méthyl-2-({[(2H3)méthyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphénylyl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-1-oxo-2-but ; anyl}carbamate de (2H3)méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl(2R)-2,1-pyrrolidinediyl[(1R)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, dimethyl-d3 ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1071.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 601.7±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 200.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 74.01
ACD/KOC (pH 5.5): 318.06
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1458.03
ACD/KOC (pH 7.4): 6265.83
Polar Surface Area: 175 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 591.1±3.0 cm3

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