ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine | C38H67NO9

1-O-(α-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine

  • Molecular FormulaC38H67NO9
  • Average mass681.940 Da
  • Monoisotopic mass681.481567 Da
  • ChemSpider ID9825241

  • 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-(8-phenyloctanoyl)phytosphingosine
Benzeneoctanamide, 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]-8-phenyloctanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]-8-phenyloctanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]-8-phényloctanamide [French] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-8-phenyloctanamide
C8P
C8Ph; N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-8-phenyloctanamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL260403/
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)-8-phenyloctanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 874.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 482.4±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 195025.55
ACD/KOC (pH 5.5): 212923.31
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 195024.05
ACD/KOC (pH 7.4): 212921.69
Polar Surface Area: 169 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 595.2±5.0 cm3

Click to predict properties on the Chemicalize site


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