ChemSpider 2D Image | 3-Deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->4)-3-deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphona tohexopyranosyl-(1->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose | C84H148N2O37P2

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

  • Molecular FormulaC84H148N2O37P2
  • Average mass1840.016 Da
  • Monoisotopic mass1838.926880 Da
  • ChemSpider ID24785678

  • 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->4)-3-deoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphona tohexopyranosyl-(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->4)-3-desoxy-6-(1,2-dihydroxyethyl)hex-2-ulopyranonosyl-(2->6)-2-desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosph onatohexopyranosyl-(1->6)-2-desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose [German] [ACD/IUPAC Name]
3-Désoxy-6-(1,2-dihydroxyéthyl)hex-2-ulopyranonosyl-(2->4)-3-désoxy-6-(1,2-dihydroxyéthyl)hex-2-ulopyranonosyl-(2->6)-2-désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosph onatohexopyranosyl-(1->6)-2-désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonatohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O-3-deoxy-2-octulopyranonosyl-(2->4)-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-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 1-(dihydrogen phosphate), ion(6-) [ACD/Index Name]
KDO2-lipid IVA

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 39
#H bond donors: 20
#Freely Rotating Bonds: 72
#Rule of 5 Violations: 4
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 8.37
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 663 Å2
Polarizability:
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Molar Volume:

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