Found 4 results

Search term: MF = 'C_{42}H_{64}N_{6}O_{9}'
ChemSpider 2D Image | N-[(3R,4R,5R)-5-({(2S,3R)-1-[(1H-Benzimidazol-2-ylmethyl)amino]-3-methyl-1-oxo-2-pentanyl}carbamoyl)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-2-pyridinec arboxamide | C42H64N6O9

N-[(3R,4R,5R)-5-({(2S,3R)-1-[(1H-Benzimidazol-2-ylmethyl)amino]-3-methyl-1-oxo-2-pentanyl}carbamoyl)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-2-pyridinec arboxamide

  • Molecular FormulaC42H64N6O9
  • Average mass796.992 Da
  • Monoisotopic mass796.473450 Da
  • ChemSpider ID23240610

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

N-[(3R,4R,5R)-5-({(2S,3R)-1-[(1H-Benzimidazol-2-ylmethyl)amino]-3-methyl-1-oxo-2-pentanyl}carbamoyl)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-2-pyridinca rboxamid [German] [ACD/IUPAC Name]
N-[(3R,4R,5R)-5-({(2S,3R)-1-[(1H-Benzimidazol-2-ylmethyl)amino]-3-methyl-1-oxo-2-pentanyl}carbamoyl)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-2-pyridinec arboxamide [ACD/IUPAC Name]
N-[(3R,4R,5R)-5-({(2S,3R)-1-[(1H-Benzimidazol-2-ylméthyl)amino]-3-méthyl-1-oxo-2-pentanyl}carbamoyl)-1-cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl]-3-{2-[2-(2-méthoxyéthoxy)éthoxy]éthoxy}-2-pyridinec arboxamide [French] [ACD/IUPAC Name]
(2R,3R,4R)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylbutyl]-6-cyclohexyl-3,4-dihydroxy-5-[(3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}pyridin-2-yl)formamido]-2-(propan-2-yl)hexanamide
N-(4-{1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(2-methoxy-ethoxy)-ethoxy]-benzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1048.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.7±3.0 kJ/mol
Flash Point: 587.8±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 217.7±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 476.42
ACD/KOC (pH 5.5): 2654.35
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.31
ACD/KOC (pH 7.4): 3489.48
Polar Surface Area: 206 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 671.1±3.0 cm3

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