ChemSpider 2D Image | Methyl {(1S)-2-[(2S,4S)-2-(5-{2-[(2S,5S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-methyl-2-pyrrolidinyl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)- 4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl}carbamate | C49H54N8O8

Methyl {(1S)-2-[(2S,4S)-2-(5-{2-[(2S,5S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-methyl-2-pyrrolidinyl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)- 4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl}carbamate

  • Molecular FormulaC49H54N8O8
  • Average mass883.002 Da
  • Monoisotopic mass882.406433 Da
  • ChemSpider ID107445641

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(1S)-2-[(2S,4S)-2-(5-{2-[(2S,5S)-1-{(2S)-2-[(Méthoxycarbonyl)amino]-3-méthylbutanoyl}-5-méthyl-2-pyrrolidinyl]-1,11-dihydroisochroméno[4',3':6,7]naphto[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)-4-(métho xyméthyl)-1-pyrrolidinyl]-2-oxo-1-phényléthyl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H- imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester [ACD/Index Name]
Methyl {(1S)-2-[(2S,4S)-2-(5-{2-[(2S,5S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-methyl-2-pyrrolidinyl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)- 4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl}carbamate [ACD/IUPAC Name]
Methyl-{(1S)-2-[(2S,4S)-2-(5-{2-[(2S,5S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-methyl-2-pyrrolidinyl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)- 4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl}carbamat [German] [ACD/IUPAC Name]
125328-83-8 [RN]
1493768-22-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 242.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 5731.28
ACD/KOC (pH 5.5): 10589.06
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29077.83
ACD/KOC (pH 7.4): 53723.94
Polar Surface Area: 193 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 671.6±3.0 cm3

Click to predict properties on the Chemicalize site


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