ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(2-hydroxyethoxy)phenyl]-L-alloisoleucinamide | C35H43N3O8

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(2-hydroxyethoxy)phenyl]-L-alloisoleucinamide

  • Molecular FormulaC35H43N3O8
  • Average mass633.731 Da
  • Monoisotopic mass633.304993 Da
  • ChemSpider ID60552837

  • 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-[4-(2-hydroxyethoxy)phenyl]-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-[4-(2-hydroxyethoxy)phenyl]-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-[4-(2-hydroxyéthoxy)phényl]-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-[4-(2-hydroxyethoxy)phenyl]-3-methyl-, (2S,3R)- [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: 951.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 529.1±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.53
ACD/KOC (pH 5.5): 896.23
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.54
ACD/KOC (pH 7.4): 896.28
Polar Surface Area: 144 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 498.5±5.0 cm3

Click to predict properties on the Chemicalize site


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