Found 1 result

Search term: CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-octanoylphytosphingosine | C32H63NO9

1-O-(α-D-galactopyranosyl)-N-octanoylphytosphingosine

  • Molecular FormulaC32H63NO9
  • Average mass605.844 Da
  • Monoisotopic mass605.450256 Da
  • ChemSpider ID3572099

  • 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-octanoylphytosphingosine
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]octanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]octanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]octanamide [French] [ACD/IUPAC Name]
Octanamide, N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
(2S,3S,4R)-N-octanoyl-1-[(α-D-galactopyranosyl)oxy]- 2-amino-octadecane-3,4-diol
(2S,3S,4R)-N-OCTANOYL-1-[(α-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
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)octanamide
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide
PbS [Formula]
More...

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

9891280 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 812.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.5±6.0 kJ/mol
Flash Point: 445.5±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75433.61
ACD/KOC (pH 5.5): 107880.10
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75433.03
ACD/KOC (pH 7.4): 107879.27
Polar Surface Area: 169 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 537.2±5.0 cm3

Click to predict properties on the Chemicalize site


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