ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methoxyphenyl)-L-alloisoleucinamide | C34H41N3O7

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methoxyphenyl)-L-alloisoleucinamide

  • Molecular FormulaC34H41N3O7
  • Average mass603.705 Da
  • Monoisotopic mass603.294434 Da
  • ChemSpider ID35146171

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methoxyphenyl)-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methoxyphenyl)-L-alloisoleucinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-(3-méthoxyphényl)-L-alloisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(3-methoxyphenyl)-3-methyl-, (2S,3R)- [ACD/Index Name]
(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-methoxyphenyl)-3-methylpentanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 901.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.96
ACD/KOC (pH 5.5): 2370.31
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.96
ACD/KOC (pH 7.4): 2370.33
Polar Surface Area: 124 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 485.3±5.0 cm3

Click to predict properties on the Chemicalize site


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