ChemSpider 2D Image | 3-Deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonatohexopyranosyl-(1->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl )-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose | C76H137N2O30P2

3-Deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonatohexopyranosyl-(1->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl )-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose

  • Molecular FormulaC76H137N2O30P2
  • Average mass1620.847 Da
  • Monoisotopic mass1619.875854 Da
  • ChemSpider ID24785671

  • Charge - Charge

More details:

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

3-Deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonatohexopyranosyl-(1->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl )-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose [ACD/IUPAC Name]
3-Desoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonatohexopyranosyl-(1->6)-2-desoxy-3-O-(3-hydroxytetradecan oyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose [German] [ACD/IUPAC Name]
3-Désoxy-6-(1,2-dihydroxyéthyl)hex-2-ulopyranonosyl-(2->6)-2-désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonatohexopyranosyl-(1->6)-2-désoxy-3-O-(3-hydroxytetradecan oyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O-3-deoxy-2-octulopyranonosyl-(2->6)-O--2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-4-O-phosphonohexopyranosyl-(1->6)-2-deoxy-3-O-(3-hydroxy-1-oxotetrade cyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 1-(dihydrogen phosphate), ion(5-) [ACD/Index Name]
(KDO)-lipid IVA
3-Deoxy-D-manno-octulosonyl-lipid IV(A)

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 32
#H bond donors: 16
#Freely Rotating Bonds: 67
#Rule of 5 Violations: 4
ACD/LogP: 14.29
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 1070.58
ACD/KOC (pH 5.5): 107.47
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 23.09
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 544 Å2
Polarizability:
Surface Tension:
Molar Volume:

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