ChemSpider 2D Image | Benzyl 1-({1-[(acetylsulfanyl)methyl]-10-oxo-2-azecanyl}carbonyl)-4-hydroxyprolinate | C25H34N2O6S

Benzyl 1-({1-[(acetylsulfanyl)methyl]-10-oxo-2-azecanyl}carbonyl)-4-hydroxyprolinate

  • Molecular FormulaC25H34N2O6S
  • Average mass490.612 Da
  • Monoisotopic mass490.213745 Da
  • ChemSpider ID28689013

More details:






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

1-({1-[(Acétylsulfanyl)méthyl]-10-oxo-2-azécanyl}carbonyl)-4-hydroxyprolinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 1-({1-[(acetylsulfanyl)methyl]-10-oxo-2-azecanyl}carbonyl)-4-hydroxyprolinate [ACD/IUPAC Name]
Benzyl-1-({1-[(acetylsulfanyl)methyl]-10-oxo-2-azecanyl}carbonyl)-4-hydroxyprolinat [German] [ACD/IUPAC Name]
Proline, 1-[[1-[(acetylthio)methyl]decahydro-10-oxo-2-azecinyl]carbonyl]-4-hydroxy-, phenylmethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.74
ACD/KOC (pH 5.5): 1296.94
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.74
ACD/KOC (pH 7.4): 1296.94
Polar Surface Area: 130 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

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