ChemSpider 2D Image | (2S,3S)-2-[(2,3-Dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate | C58H114NO19P

(2S,3S)-2-[(2,3-Dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate

  • Molecular FormulaC58H114NO19P
  • Average mass1160.495 Da
  • Monoisotopic mass1159.772217 Da
  • ChemSpider ID26331938

  • defined stereocentres - 12 of 16 defined stereocentres

More details:

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

(2S,3S)-2-[(2,3-Dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3S)-2-[(2,3-Dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl-(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyle et de (1R,2R,3R,4R,5S,6R)-2,3,4,5-tétrahydroxy-6-(D-mannopyranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S,3S)-2-[(2,3-dihydroxy-1-oxohexacosyl)amino]-3,4-dihydroxyeicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl ester [ACD/Index Name]
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate; 1D-6-O-(D-mannopyranosyl)-myo-inositol 1
-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
mannosylinositol phosphorylceramide D (20:0/26:0)
mannosylinositol phosphorylceramide D (C26)
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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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 303.6±0.4 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 16437.28
ACD/KOC (pH 5.5): 3905.21
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 13227.06
ACD/KOC (pH 7.4): 3142.52
Polar Surface Area: 356 Å2
Polarizability: 120.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 955.1±5.0 cm3

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