ChemSpider 2D Image | 2-Methyl-2-propanyl (4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxo-5-(phenylsulfanyl)pentanoate | C30H31NO5S

2-Methyl-2-propanyl (4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxo-5-(phenylsulfanyl)pentanoate

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID9987960

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-{[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}-5-oxo-5-(phénylsulfanyl)pentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxo-5-(phenylsulfanyl)pentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxo-5-(phenylsulfanyl)pentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxo-5-(phenylthio)-, 1,1-dimethylethyl ester, (4S)- [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: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 93742.33
ACD/KOC (pH 5.5): 126034.00
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 93546.88
ACD/KOC (pH 7.4): 125771.21
Polar Surface Area: 107 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

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