ChemSpider 2D Image | (6S)-3-Deoxy-6-[(1S)-1,2-dihydroxyethyl]-beta-D-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-beta-L-erythro-hex-2-ulopyranonosyl-(2->6)-(2xi)-2-deoxy-3-O-[(3R)-3-hydrox ytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-L-arabino-hexopyranosyl-(1->6)-(2xi)-2-deoxy-3-O-[(3S)-3-hydroxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-1-O-phos phono-alpha-D-arabino-hexopyranose | C84H154N2O37P2

(6S)-3-Deoxy-6-[(1S)-1,2-dihydroxyethyl]-β-D-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-(2ξ)-2-deoxy-3-O-[(3R)-3-hydrox ytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-L-arabino-hexopyranosyl-(1->6)-(2ξ)-2-deoxy-3-O-[(3S)-3-hydroxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-1-O-phos phono-α-D-arabino-hexopyranose

  • Molecular FormulaC84H154N2O37P2
  • Average mass1846.060 Da
  • Monoisotopic mass1844.970581 Da
  • ChemSpider ID68024242

  • defined stereocentres - 22 of 24 defined stereocentres

More details:

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

(6S)-3-Deoxy-6-[(1S)-1,2-dihydroxyethyl]-β-D-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-(2ξ)-2-deoxy-3-O-[(3R)-3-hydrox ytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-L-arabino-hexopyranosyl-(1->6)-(2ξ)-2-deoxy-3-O-[(3S)-3-hydroxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-1-O-phos phono-α-D-arabino-hexopyranose [ACD/IUPAC Name]
(6S)-3-Desoxy-6-[(1S)-1,2-dihydroxyethyl]-β-D-erythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->6)-(2ξ)-2-desoxy-3-O-[(3R)-3-hyd roxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-L-arabino-hexopyranosyl-(1->6)-(2ξ)-2-desoxy-3-O-[(3S)-3-hydroxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-1-O- phosphono-α-D-arabino-hexopyranose [German] [ACD/IUPAC Name]
(6S)-3-Désoxy-6-[(1S)-1,2-dihydroxyéthyl]-β-D-érythro-hex-2-ulopyranonosyl-(2->4)-(6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->6)-(2ξ)-2-désoxy-3-O-[(3R)-3-hyd roxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-β-L-arabino-hexopyranosyl-(1->6)-(2ξ)-2-désoxy-3-O-[(3S)-3-hydroxytetradecanoyl]-2-{[(3S)-3-hydroxytetradecanoyl]amino}-1-O- phosphono-α-D-arabino-hexopyranose [French] [ACD/IUPAC Name]
α-D-arabino-Hexopyranose, O-3-deoxy-α-L-manno-2-octulopyranonosyl-(2->4)-O-3-deoxy-α-D-manno-2-octulopyranonosyl-(2->6)-O(2ξ)-2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3S)-3-hydro xy-1-oxotetradecyl]amino]-4-O-phosphono-β-L-arabino-hexopyranosyl-(1->6)-2-deoxy-3-O-[(3S)-3-hydroxy-1-oxotetradecyl]-2-[[(3S)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate), (2ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 450.7±0.4 cm3
#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: 646 Å2
Polarizability: 178.7±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 1375.0±5.0 cm3

Click to predict properties on the Chemicalize site


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