ChemSpider 2D Image | (3S,4S,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl (2S)-2-formamido-4-methylpentanoate | C29H53NO5

(3S,4S,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl (2S)-2-formamido-4-methylpentanoate

  • Molecular FormulaC29H53NO5
  • Average mass495.735 Da
  • Monoisotopic mass495.392365 Da
  • ChemSpider ID29789933

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-Formamido-4-méthylpentanoate de (3S,4S,6S)-3-hexyl-2-oxo-6-undécyltétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
(3S,4S,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl (2S)-2-formamido-4-methylpentanoate [ACD/IUPAC Name]
(3S,4S,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl-(2S)-2-formamido-4-methylpentanoat [German] [ACD/IUPAC Name]
[(3S,4S,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] (2S)-2-formamido-4-methylpentanoate
130676-65-2 [RN]
L-Leucine, N-formyl-, (3S,4S,6S)-3-hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl ester (9CI)
N-Formyl-L-leucine (3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
N-Formyl-L-leucine(3S,4S,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-ylEster
Ro 40-4441

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

Density: 1.0±0.1 g/cm3
Boiling Point: 632.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±30.1 °C
Index of Refraction: 1.482
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 9.46
ACD/LogD (pH 5.5): 9.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2457272.50
ACD/LogD (pH 7.4): 9.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2457272.50
Polar Surface Area: 82 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 497.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement