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Search term: VTTDOFKNPMAETP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (KDO)3-lipid IVA | C92H166N2O44P2

(KDO)3-lipid IVA

  • Molecular FormulaC92H166N2O44P2
  • Average mass2066.237 Da
  • Monoisotopic mass2065.028809 Da
  • ChemSpider ID26331888

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(6R)-3-Deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydro ;xyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydr 
oxytetradecanoyl]-2-{[(3R)-3-hydroxytetradec [ACD/IUPAC Name]
(6R)-3-Desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-desoxy-6-[(1R)-1,2-dihy ;droxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-2-desoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-desoxy-3-O-[(3R)-3 
-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytet [German] [ACD/IUPAC Name]
(6R)-3-Désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-désoxy-6-[(1R)-1,2-dihy ;droxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->6)-2-désoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-désoxy-3-O-[(3R)-3 
-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytet [French] [ACD/IUPAC Name]
(KDO)3-lipid IVA
tri[3-deoxy-D-manno-octulosonyl]-lipid IV(A)
α-D-Glucopyranose, O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->4)-O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->4)-O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->6)-O-2-deoxy-3-O-[(3R)-3-hy droxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-( dihydrogen phosphate) [ACD/Index Name]
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose
3-hydroxytetradecanamido]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 495.3±0.4 cm3
#H bond acceptors: 46
#H bond donors: 24
#Freely Rotating Bonds: 77
#Rule of 5 Violations: 4
ACD/LogP: 12.99
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 762 Å2
Polarizability: 196.4±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 1481.6±5.0 cm3

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