ChemSpider 2D Image | N-FORMYL-L-LEUCINE (3S,4R,6S)-3-HEXYL-2-OXO-6-UNDECYLTETRAHYDRO-2H-PYRAN-4-YL ESTER | C29H53NO5

N-FORMYL-L-LEUCINE (3S,4R,6S)-3-HEXYL-2-OXO-6-UNDECYLTETRAHYDRO-2H-PYRAN-4-YL ESTER

  • Molecular FormulaC29H53NO5
  • Average mass495.735 Da
  • Monoisotopic mass495.392365 Da
  • ChemSpider ID32701943

  • 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,4R,6S)-3-hexyl-2-oxo-6-undécyltétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
(2S)-2-Formamido-4-méthylpentanoate de (3S,4R,6S)-3-hexyl-2-oxo-6-undécyltétrahydro-2H-pyran-4-yle (non-preferred name) [French] [ACD/IUPAC Name]
(3S,4R,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl (2S)-2-formamido-4-methylpentanoate [ACD/IUPAC Name]
(3S,4R,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl (2S)-2-formamido-4-methylpentanoate (non-preferred name) [ACD/IUPAC Name]
(3S,4R,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl-(2S)-2-formamido-4-methylpentanoat [German] [ACD/IUPAC Name]
(3S,4R,6S)-3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl-(2S)-2-formamido-4-methylpentanoat (non-preferred name) [German] [ACD/IUPAC Name]
130793-27-0 [RN]
N-FORMYL-L-LEUCINE (3S,4R,6S)-3-HEXYL-2-OXO-6-UNDECYLTETRAHYDRO-2H-PYRAN-4-YL ESTER
n-formyl-l-leucine (3s,4r,6s)-3-hexyltetrahydro-2-oxo-6-undecyl-2h-pyran-4-yl ester

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

2WU82B0SW1 [DBID]
UNII:2WU82B0SW1 [DBID]
UNII-2WU82B0SW1 [DBID]

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

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