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

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

  • Molecular FormulaC49H54N8O8
  • Average mass883.002 Da
  • Monoisotopic mass882.406433 Da
  • ChemSpider ID109484131

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(Méthoxycarbonyl)amino]-2-phénylacétyl}-4-(méthoxyméthyl)-2-pyrrolidinyl]-4H-imidazol-5-yl}-3,11-dihydroisochroméno[4',3':6,7]naphto[1,2-d]imidazol-2-yl)-5 -méthyl-1-pyrrolidinyl]-3-méthyl-1-oxo-2-butanyl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[3,11-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]-4H- imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester [ACD/Index Name]
Methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-4H-imidazol-5-yl}-3,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-5-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Methyl-{(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)-2-pyrrolidinyl]-4H-imidazol-5-yl}-3,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol -2-yl)-5-methyl-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 239.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 639.28
ACD/KOC (pH 5.5): 1825.84
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6362.70
ACD/KOC (pH 7.4): 18172.56
Polar Surface Area: 189 Å2
Polarizability: 95.0±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 621.5±7.0 cm3

Click to predict properties on the Chemicalize site


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