ChemSpider 2D Image | 2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-alpha-D-glucopyranose | C34H64NO12P

2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-α-D-glucopyranose

  • Molecular FormulaC34H64NO12P
  • Average mass709.846 Da
  • Monoisotopic mass709.417725 Da
  • ChemSpider ID26330982
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-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-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate
2-N,3-O-bis(3-hydroxytetradecanoyl)-α-D-glucosaminyl 1-phosphate
lipid X dianion
lipid X(2-)
  • Miscellaneous
    • Chemical Class:

      Dianion of lipid X arising from deprotonation of the phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57957

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 4
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 18.17
ACD/KOC (pH 5.5): 29.75
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 228 Å2
Polarizability:
Surface Tension:
Molar Volume:

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