ChemSpider 2D Image | 1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-alpha-D-galactopyranosyl}-N-hexacosanoylphytosphingosine | C61H107N3O9

1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine

  • Molecular FormulaC61H107N3O9
  • Average mass1026.517 Da
  • Monoisotopic mass1025.800781 Da
  • ChemSpider ID26328746

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1089188-08-8 [RN]
1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
Hexacosanamide, N-[(1S,2S,3R)-1-[[[6-deoxy-6-[[(1-naphthalenylamino)carbonyl]amino]-α-D-galactopyranosyl]oxy]methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1-({6-Deoxy-6-[(1-naphthylcarbamoyl)amino]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-({6-Desoxy-6-[(1-naphthylcarbamoyl)amino]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-({6-Désoxy-6-[(1-naphtylcarbamoyl)amino]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]
1-O-(6-naphthoureido-6-deoxy-α-D-galactopyranosyl)-2-hexacosylamino-1,3,4-octadecanetriol
1-O-{6-deoxy-6-[3-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-α-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
NU-α-GalCer
  • Miscellaneous

    • Chemical Class:

      A glycophytoceramide having a 6-deoxy-6-(<element>N</element>'-naphthoureido)-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. ChEBI CHEBI:73554
      A glycophytoceramide having a 6-deoxy-6-(N'-naphthoureido)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the ; nitrogen. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73554
      A glycophytoceramide having a 6-deoxy-6-(N'-naphthoureido)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. ChEBI CHEBI:73554

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1052.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.4±3.0 kJ/mol
Flash Point: 590.5±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 300.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 21.30
ACD/LogD (pH 5.5): 17.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 190 Å2
Polarizability: 119.2±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 944.9±5.0 cm3

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