ChemSpider 2D Image | palmitoyllipid A | C110H208N2O26P2

palmitoyllipid A

  • Molecular FormulaC110H208N2O26P2
  • Average mass2036.774 Da
  • Monoisotopic mass2035.449097 Da
  • ChemSpider ID30791065

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-Deoxy-6-O-(2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-(palm itoyloxy)tetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-(2-desoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-(pa lmitoyloxy)tetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-(2-désoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-(pa lmitoyloxy)tetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose [French] [ACD/IUPAC Name]
palmitoyllipid A
α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-β-D-glucopyranosyl]-3-O-[(3R)-3-h ydroxy-1-oxotetradecyl]-2-[[(3R)-1-oxo-3-[(1-oxohexadecyl)oxy]tetradecyl]amino]-, 1-(dihydrogen phosphate) [ACD/Index Name]
2-deoxy-6-O-(2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-2-{[(3R)-3-(hexadecanoyloxy)tetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-1-O-phosphono-α-D-glucopyranose
heptaacyl lipid A
hepta-acyl lipid A
hexadecanoyllipid A
Salmonella typhimuriam lipid A

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.516
Molar Refractivity: 556.8±0.4 cm3
#H bond acceptors: 28
#H bond donors: 9
#Freely Rotating Bonds: 104
#Rule of 5 Violations: 4
ACD/LogP: 37.27
ACD/LogD (pH 5.5): 30.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 29.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 431 Å2
Polarizability: 220.7±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 1842.6±5.0 cm3

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