ChemSpider 2D Image | Lactosylceramide (d18:1/25:0) | C55H105NO13

Lactosylceramide (d18:1/25:0)

  • Molecular FormulaC55H105NO13
  • Average mass988.421 Da
  • Monoisotopic mass987.758606 Da
  • ChemSpider ID16744890

  • 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 (d18:1/25:0)
4682-48-8 [RN]
N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[4-O-(β-D-Galactopyranosyl)-β-D-mannopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]pentacosanamide [French] [ACD/IUPAC Name]
Pentacosanamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-mannopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
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: 1043.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.9±6.0 kJ/mol
Flash Point: 585.1±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 275.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 15.97
ACD/LogD (pH 5.5): 13.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 228 Å2
Polarizability: 109.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 887.8±5.0 cm3

Click to predict properties on the Chemicalize site


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