ChemSpider 2D Image | ORLISTAT OPEN RING EPIMER | C29H55NO6

ORLISTAT OPEN RING EPIMER

  • Molecular FormulaC29H55NO6
  • Average mass513.750 Da
  • Monoisotopic mass513.402954 Da
  • ChemSpider ID29789936

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid [ACD/IUPAC Name]
(2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecansäure [German] [ACD/IUPAC Name]
130793-28-1 [RN]
Acide (2S,3R,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic acid, 5-[[(2S)-2-(formylamino)-4-methyl-1-oxopentyl]oxy]-2-hexyl-3-hydroxy-, (2S,3R,5S)- [ACD/Index Name]
ORLISTAT OPEN RING EPIMER
[2R-[1(S*),2R*,3S*]]-N-Formyl-L-leucine 1-[3-carboxy-2-hydroxynonyl]dodecyl ester
L-Leucine, N-formyl-, (1S)-1-[(2R,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester
missing
Orlistat Related Compound ((2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid)

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

F0N5S1WW2U [DBID]
UNII:F0N5S1WW2U [DBID]
UNII-F0N5S1WW2U [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: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.479
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 60115.17
ACD/KOC (pH 5.5): 40641.09
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 986.64
ACD/KOC (pH 7.4): 667.02
Polar Surface Area: 113 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 510.9±3.0 cm3

Click to predict properties on the Chemicalize site


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