Found 101 results

Search term: MF = 'C_{22}H_{26}N_{2}O_{9}S'
ChemSpider 2D Image | Methyl 5-(2-{[N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycyl]oxy}propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate | C22H26N2O9S

Methyl 5-(2-{[N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycyl]oxy}propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC22H26N2O9S
  • Average mass494.515 Da
  • Monoisotopic mass494.135895 Da
  • ChemSpider ID21981110

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[2-[[2-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]amino]acetyl]oxy]-1-oxopropyl]-2,4-dimethyl-, methyl ester [ACD/Index Name]
5-(2-{[N-(3,4-Dihydro-2H-1,5-benzodioxépin-7-ylsulfonyl)glycyl]oxy}propanoyl)-2,4-diméthyl-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(2-{[N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycyl]oxy}propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-(2-{[N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycyl]oxy}propanoyl)-2,4-dimethyl-1H-pyrrol-3-carboxylat [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: 707.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.564
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.45
ACD/KOC (pH 5.5): 1756.22
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 230.50
ACD/KOC (pH 7.4): 1690.62
Polar Surface Area: 158 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 364.7±3.0 cm3

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