Found 34 results

Search term: MF = 'C_{23}H_{35}N_{3}O_{8}S'
ChemSpider 2D Image | Ethyl N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxyphenyl)acetyl}-beta-alaninate | C23H35N3O8S

Ethyl N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxyphenyl)acetyl}-β-alaninate

  • Molecular FormulaC23H35N3O8S
  • Average mass513.604 Da
  • Monoisotopic mass513.214478 Da
  • ChemSpider ID16547181

More details:

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

Ethyl N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxyphenyl)acetyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[(2-hydroxyethyl)(N-{[(2-methyl-2-propanyl)oxy]carbonyl}cysteinyl)amino](2-hydroxyphenyl)acetyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-[(2-Hydroxyéthyl)(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}cystéinyl)amino]-2-(2-hydroxyphényl)acétyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-mercapto-1-oxopropyl](2-hydroxyethyl)amino]-2-(2-hydroxyphenyl)acetyl]-, ethyl ester [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: 702.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.5±35.7 °C
Index of Refraction: 1.567
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 13.03
ACD/KOC (pH 5.5): 153.61
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 8.62
ACD/KOC (pH 7.4): 101.66
Polar Surface Area: 200 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 401.4±7.0 cm3

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