ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol | C51H101NO8

(1R)-1,5-Anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol

  • Molecular FormulaC51H101NO8
  • Average mass856.349 Da
  • Monoisotopic mass855.752747 Da
  • ChemSpider ID7987077

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadécyl]-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-1-C-[(3S,4S,5R)-4,5-dihydroxy-3-[(1-oxohexacosyl)amino]nonadecyl]-, (1R)- [ACD/Index Name]
(2S,3S,4R)-1-CH2-(α-D-galactopyranosyl)-2-(N-hexacosanoylamino)-1,3,4-octadecanetriol
(2S,3S,4R)-1-CH2-(α-D-galactopyranosyl)-2-hexacosanamido-1,3,4-octadecanetriol
(3'S,4'S,5'R)-1-C-(3'-hexacosanoylamino-4',5'-dihydroxynonadecyl)-α-D-galactopyranoside
380223-92-7 [RN]
Hexacosanamide,N-[(1S,2S,3R)-2,3-dihydroxy-1-[2-[(2R,3R,4R,5R,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]ethyl]heptadecyl]-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450129/
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  • Miscellaneous

    • Chemical Class:

      A <element>C</element>-glycosylphytoceramide consisting of 1-<element>O</element>-(<stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranosyl)-<element>N</element>-hexacosanylphytosphingosine with the anomeric oxygen replaced by a methylene group. ChEBI CHEBI:552760
      A C-glycosylphytoceramide consisting of 1-O-(alpha-D-galactopyranosyl)-N-hexacosanylphytosphingosine with the anomeric oxygen replaced by a methylene group. ChEBI CHEBI:552760
      A C-glycosylphytoceramide consisting of 1-O-(alpha-D-galactopyranosyl)-N-hexacosanylphytosphingosine with the; anomeric oxygen replaced by a methylene group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:552760

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

Density: 1.0±0.1 g/cm3
Boiling Point: 926.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.8±6.0 kJ/mol
Flash Point: 513.8±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 250.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.92
ACD/LogD (pH 5.5): 15.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 160 Å2
Polarizability: 99.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 856.5±3.0 cm3

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