ChemSpider 2D Image | 8-Hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate | C26H35NO6

8-Hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID21834820

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

8-Hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate [ACD/IUPAC Name]
8-Hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 8-hexyl-1,2,3,4-tetrahydro-4-oxobenzo[b]cyclopenta[d]pyran-7-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alaninate de 8-hexyl-4-oxo-1,2,3,4-tétrahydrocyclopenta[c]chromén-7-yle [French] [ACD/IUPAC Name]
(S)-8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
2-tert-Butoxycarbonylamino-propionic acid 8-hexyl-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester
8-hexyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-(tert-butoxycarbonyl)-L-alaninate
8-hexyl-4-oxo-1,2,3-trihydrocyclopenta[2,1-c]chromen-7-yl (2S)-2-[(tert-butoxy)carbonylamino]propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60049.60
ACD/KOC (pH 5.5): 91630.17
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60034.63
ACD/KOC (pH 7.4): 91607.34
Polar Surface Area: 91 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 387.8±5.0 cm3

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