ChemSpider 2D Image | 2-Deoxy-6-O-{2-deoxy-2-[(3-{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}tetradecanoyl)amino]-3-O-[(1E)-1-hydroxy-3-{[(1E)-1-hydroxy-1-tetradecen-1-yl]oxy}-1-tetradecen-1-yl]-4-O-phosphonohexopyranosyl}-3-O-[(1 E)-1,3-dihydroxy-1-tetradecen-1-yl]-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose | C94H178N2O25P2

2-Deoxy-6-O-{2-deoxy-2-[(3-{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}tetradecanoyl)amino]-3-O-[(1E)-1-hydroxy-3-{[(1E)-1-hydroxy-1-tetradecen-1-yl]oxy}-1-tetradecen-1-yl]-4-O-phosphonohexopyranosyl}-3-O-[(1 E)-1,3-dihydroxy-1-tetradecen-1-yl]-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose

  • Molecular FormulaC94H178N2O25P2
  • Average mass1798.365 Da
  • Monoisotopic mass1797.219360 Da
  • ChemSpider ID95639859

More details:

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

2-Deoxy-6-O-{2-deoxy-2-[(3-{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}tetradecanoyl)amino]-3-O-[(1E)-1-hydroxy-3-{[(1E)-1-hydroxy-1-tetradecen-1-yl]oxy}-1-tetradecen-1-yl]-4-O-phosphonohexopyranosyl}-3-O-[(1 E)-1,3-dihydroxy-1-tetradecen-1-yl]-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-{2-desoxy-2-[(3-{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}tetradecanoyl)amino]-3-O-[(1E)-1-hydroxy-3-{[(1E)-1-hydroxy-1-tetradecen-1-yl]oxy}-1-tetradecen-1-yl]-4-O-phosphonohexopyranosyl}-3-O-[ (1E)-1,3-dihydroxy-1-tetradecen-1-yl]-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-{2-désoxy-2-[(3-{[(1E)-1-hydroxy-1-dodécén-1-yl]oxy}tetradecanoyl)amino]-3-O-[(1E)-1-hydroxy-3-{[(1E)-1-hydroxy-1-tétradécén-1-yl]oxy}-1-tétradécén-1-yl]-4-O-phosphonohexopyranosyl}-3-O-[ (1E)-1,3-dihydroxy-1-tétradécén-1-yl]-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2-deoxy-6-O-[2-deoxy-2-[[3-[[(1E)-1-hydroxy-1-dodecen-1-yl]oxy]-1-oxotetradecyl]amino]-3-O-[(1E)-1-hydroxy-3-[[(1E)-1-hydroxy-1-tetradecen-1-yl]oxy]-1-tetradecen-1-yl]-4-O-phosphonohexop yranosyl]-3-O-[(1E)-1,3-dihydroxy-1-tetradecen-1-yl]-2-[(3-hydroxy-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 486.8±0.4 cm3
#H bond acceptors: 27
#H bond donors: 14
#Freely Rotating Bonds: 84
#Rule of 5 Violations: 4
ACD/LogP: 30.62
ACD/LogD (pH 5.5): 22.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 438 Å2
Polarizability: 193.0±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 1558.5±5.0 cm3

Click to predict properties on the Chemicalize site


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