ChemSpider 2D Image | (6R)-3,5-Dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5
-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-({(6R)-3,5-dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,
3-dihydroxypropyl]-5-(propionylamino)-beta-L | C120H192N10O81

(6R)-3,5-Dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5 -dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-({(6R)-3,5-dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1, 3-dihydroxypropyl]-5-(propionylamino)-β-L

  • Molecular FormulaC120H192N10O81
  • Average mass3070.827 Da
  • Monoisotopic mass3069.121338 Da
  • ChemSpider ID29368516
  • defined stereocentres - 60 of 60 defined stereocentres


More details:






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

(6R)-3,5-Dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5 ;-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-{[(6R)-3,5-dideoxy-6-[(1S,2R)-2-({(6R)-3,5-dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1, 3-dihydroxypropyl]-5-(propionylamino)-β-L [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6 ;R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-{[(6R)-3,5-didesoxy-6-[(1S,2R)-2-({(6R)-3,5-didesoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonos yl}oxy)-1,3-dihydroxypropyl]-5-(propionylami [German] [ACD/IUPAC Name]
Acide (6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)- ;2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-{[(6R)-3,5-didésoxy-6-[(1S,2R)-2-({(6R)-3,5-didésoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyr anonosyl}oxy)-1,3-dihydroxypropyl]-5-(propio [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, O-3,5-dideoxy-5-[(1-oxopropyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->;8)-O-3,5-dideoxy-5-[(1-oxopropyl)amino]-D-glycero-α-D-gal acto-2-nonulopyranonosyl-(2->8)-O-3,5-dideoxy-5-[(1-oxopropyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->8)-O-3,5-dideoxy-5-[(1-oxopropyl)amino]-D-glycero-α-D-galacto-2-nonulopyranon osyl-(2->8)-O-3,5-dideoxy-5-[(1-oxopropyl)am [ACD/Index Name]
(NeuPr)-10
[α-NeuNPr-(2->8)]10
3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-alph
a-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-
a-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-3,5-dideoxy-5-propanamido-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
missing
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  • Miscellaneous
    • Chemical Class:

      An oligosaccharide derivative consisting of ten <stereo>alpha</stereo>-<stereo>D</stereo>-<element>N</element>-propionylneuraminyl residues joined by (2<arrow>right</arrow>8) linkages. ChEBI CHEBI:75237
      An oligosaccharide derivative consisting of ten alpha-D-N-propionylneuraminyl residues joined by (2->8) linkages. ChEBI CHEBI:75237
      An oligosaccharide derivative consisting of ten alpha-D-N-propionylneuraminyl residues joined by (2right8) linkages. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75237

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 672.7±0.4 cm3
#H bond acceptors: 91
#H bond donors: 52
#Freely Rotating Bonds: 78
#Rule of 5 Violations: 3
ACD/LogP: -5.26
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1487 Å2
Polarizability: 266.7±0.5 10-24cm3
Surface Tension: 119.2±5.0 dyne/cm
Molar Volume: 1782.9±5.0 cm3

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