ChemSpider 2D Image | Lactosylceramide (d18:1/24:1(15Z)) | C54H101NO13

Lactosylceramide (d18:1/24:1(15Z))

  • Molecular FormulaC54H101NO13
  • Average mass972.379 Da
  • Monoisotopic mass971.727295 Da
  • ChemSpider ID16744886

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

Lactosylceramide (d18:1/24:1(15Z))
(15Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenamid [German] [ACD/IUPAC Name]
(15Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tetracosenamide [ACD/IUPAC Name]
(15Z)-N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]-15-tétracosénamide [French] [ACD/IUPAC Name]
15-Tetracosenamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-mannopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (15Z)- [ACD/Index Name]
4682-48-8 [RN]
1-O-(4-O-b-D-galactopyranosyl-b-D-glucopyranosyl)-Ceramide
1-O-(4-O-β-D-Galactopyranosyl-β-glucopyranosyl)ceramide
1-O-(4-O-β-δ-Galactopyranosyl-β-glucopyranosyl)ceramide
1-O-(4-O-β-δ-galactopyranosyl-β-δ-glucopyranosyl)-Ceramide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05796 [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: 1038.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.9±6.0 kJ/mol
Flash Point: 581.7±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 270.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 14.92
ACD/LogD (pH 5.5): 12.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 228 Å2
Polarizability: 107.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 865.2±5.0 cm3

Click to predict properties on the Chemicalize site


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