ChemSpider 2D Image | 2-Deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]a mino}-1-O-phosphonato-alpha-D-glucopyranose | C68H126N2O23P2

2-Deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]a mino}-1-O-phosphonato-α-D-glucopyranose

  • Molecular FormulaC68H126N2O23P2
  • Average mass1401.677 Da
  • Monoisotopic mass1400.824829 Da
  • ChemSpider ID8504584

  • Charge - Charge

    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-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]a mino}-1-O-phosphonato-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-(2-desoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl ]amino}-1-O-phosphonato-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-(2-désoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl ]amino}-1-O-phosphonato-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[ [(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-&β;-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-&α;-D-glucopyranose
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphonato-α-D-glucopyranose
lipid IVA
lipid IVA
lipid IVA (E. coli)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 14.36
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 149856.92
ACD/KOC (pH 5.5): 8378.26
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 3217.79
ACD/KOC (pH 7.4): 179.90
Polar Surface Area: 424 Å2
Polarizability:
Surface Tension:
Molar Volume:

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