ChemSpider 2D Image | Man-1-2-Ins-1-P-Cer(d20:0/26:0) | C58H114NO16P

Man-1-2-Ins-1-P-Cer(d20:0/26:0)

  • Molecular FormulaC58H114NO16P
  • Average mass1112.497 Da
  • Monoisotopic mass1111.787476 Da
  • ChemSpider ID26331929

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2S,3R)-2-(Hexacosanoylamino)-3-hydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3R)-2-(Hexacosanoylamino)-3-hydroxyicosyl-(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyle et de (1R,2R,3R,4R,5S,6R)-2,3,4,5-tétrahydroxy-6-(D-mannopyranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
Man-1-2-Ins-1-P-Cer(d20:0/26:0)
Phosphoric acid, (2S,3R)-3-hydroxy-2-[(1-oxohexacosyl)amino]eicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl ester [ACD/Index Name]
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl (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,3R)-2-(hexaco
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl (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,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl hydrogen phosphate]
(2S,3S)-2-(hexacosanoylamino)-3-hydroxyicosyl (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,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl hydrogen phosphate]
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-(hexacosanoylamino)-3-hydroxyicosyl hydrogen phosphate]
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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: 1.534
Molar Refractivity: 299.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 16.14
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 874536.00
ACD/KOC (pH 5.5): 67238.45
ACD/LogD (pH 7.4): 9.10
ACD/BCF (pH 7.4): 700618.94
ACD/KOC (pH 7.4): 53866.88
Polar Surface Area: 295 Å2
Polarizability: 118.6±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 962.0±5.0 cm3

Click to predict properties on the Chemicalize site


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