Found 17 results

Search term: MF = 'C_{29}H_{38}N_{2}O_{9}S'
ChemSpider 2D Image | 4-Ethyl 2-isobutyl 5-{[4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate (non-preferred name) | C29H38N2O9S

4-Ethyl 2-isobutyl 5-{[4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate (non-preferred name)

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID120250574

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxo-4-(phenylmethoxy)butyl]amino]-3-methyl-, 4-ethyl 2-(2-methylpropyl) ester [ACD/Index Name]
4-Ethyl 2-isobutyl 5-{[4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate (non-preferred name) [ACD/IUPAC Name]
4-Ethyl-2-isobutyl-5-{[4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-methyl-2,4-thiophendicarboxylat (non-preferred name) [German] [ACD/IUPAC Name]
5-{[4-(Benzyloxy)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de 4-éthyle et de 2-isobutyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57109.54
ACD/KOC (pH 5.5): 88395.70
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57028.89
ACD/KOC (pH 7.4): 88270.88
Polar Surface Area: 175 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 479.4±3.0 cm3

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