ChemSpider 2D Image | 2-Deoxy-6-O-(2-deoxy-2-{[3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl)-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-ph osphonohexopyranose | C94H178N2O25P2

2-Deoxy-6-O-(2-deoxy-2-{[3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl)-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-ph osphonohexopyranose

  • Molecular FormulaC94H178N2O25P2
  • Average mass1798.365 Da
  • Monoisotopic mass1797.219360 Da
  • ChemSpider ID30797255

  • 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-{[3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl)-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-ph osphonohexopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-(2-desoxy-2-{[3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl)-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O- phosphonohexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-(2-désoxy-2-{[3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl)-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O- phosphonohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2-deoxy-6-O-[2-deoxy-2-[[1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphonohexopyranosyl]-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hyd roxy-1-oxotetradecyl)amino]-, 1-(dihydrogen phosphate) [ACD/Index Name]

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: 1.521
Molar Refractivity: 482.4±0.4 cm3
#H bond acceptors: 27
#H bond donors: 10
#Freely Rotating Bonds: 88
#Rule of 5 Violations: 4
ACD/LogP: 28.61
ACD/LogD (pH 5.5): 22.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 425 Å2
Polarizability: 191.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 1584.0±5.0 cm3

Click to predict properties on the Chemicalize site


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