ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine | C36H63NO9

1-O-(α-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine

  • Molecular FormulaC36H63NO9
  • Average mass653.887 Da
  • Monoisotopic mass653.450256 Da
  • ChemSpider ID9796368

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-O-(α-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine
Benzenehexanamide, N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-6-phenylhexanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]-6-phénylhexanamide [French] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-6-phenylhexanamide
C6Ph
C6Q
N-((2S,3S,4R)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)octadecan-2-yl)-6-phenylhexanamide
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-6-phenylhexanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 861.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.8±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 179.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14863.87
ACD/KOC (pH 5.5): 33728.72
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14863.76
ACD/KOC (pH 7.4): 33728.46
Polar Surface Area: 169 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

Click to predict properties on the Chemicalize site


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