ChemSpider 2D Image | N~2~-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-valinamide | C34H43N3O6

N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-valinamide

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID30717273

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

Butanamide, 2-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-3-methyl-, (2S)- [ACD/Index Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-valinamid [German] [ACD/IUPAC Name]
N2-[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-valinamide [ACD/IUPAC Name]
N2-[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]-N-(bicyclo[2.2.1]hept-5-én-2-ylméthyl)-L-valinamide [French] [ACD/IUPAC Name]
(2S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-((2R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl)-3-methylbutanamide
(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-3-methylbutanamide
1574252-39-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 890.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 492.3±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.95
ACD/KOC (pH 5.5): 1208.13
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.95
ACD/KOC (pH 7.4): 1208.14
Polar Surface Area: 115 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

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