ChemSpider 2D Image | alpha-D-Galp-(1->3)-beta-D-Galf-(1->3)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->4)-alpha-D-GlcpN-(1->6)-1D-myo-inositol | C36H63NO30

α-D-Galp-(1->3)-β-D-Galf-(1->3)-α-D-Manp-(1->3)-α-D-Manp-(1->4)-α-D-GlcpN-(1->6)-1D-myo-inositol

  • Molecular FormulaC36H63NO30
  • Average mass989.874 Da
  • Monoisotopic mass989.343506 Da
  • ChemSpider ID26332395

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

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

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl α-D-galactopyranosyl-(1->3)-β-D-galactofuranosyl-(1->3)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-α-D- glucopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-α-D-galactopyranosyl-(1->3)-β-D-galactofuranosyl-(1->3)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->4)-2-amino-2-desoxy-α-D -glucopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactofuranosyl-(1->3)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->4)-2-amino-2-désoxy-α-D-glucopyranoside de (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pen tahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Galp-(1->3)-β-D-Galf-(1->3)-α-D-Manp-(1->3)-α-D-Manp-(1->4)-α-D-GlcpN-(1->6)-1D-myo-inositol
α-D-Glucopyranoside, (1β,2α,3α,4α,5β,6α)-2,3,4,5,6-pentahydroxycyclohexyl O-α-D-galactopyranosyl-(1->3)-O-β-D-galactofuranosyl-(1->3)-O-α-D-mannopyranosyl-(1->3)-O -α-D-mannopyranosyl-(1->4)-2-amino-2-deoxy- [ACD/Index Name]
(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl α-D-galactopyranosyl-(1->3)-β-D-galactofuranosyl-(1->3)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-α-D-
(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl α-D-galactopyranosyl-(1->3)-β-D-galactofuranosyl-(1->3)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-α-D-glucopyranoside
glucopyranoside
missing
α-D-Gal-(1->3)-β-D-Galf-(1->3)-α-D-Man-(1->3)-α-D-Man-(1->4)-α-D-GlcN-(1->6)-1D-myo-inositol
More...
  • Miscellaneous

    • Chemical Class:

      A glycoside comprising the linear pentasaccharide <stereo>alpha</stereo>-Gal<ringsugar>p</ringsugar>(1<arrow>right</arrow>3)-<stereo>beta</stereo>-Gal<ringsugar>f</ringsugar>-(1<arrow>right</arrow>3)- <stereo>alpha</stereo>-Man<ringsugar>p</ringsugar>-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-Man<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>alpha</stereo>-Glc<ringsugar>p</ringsuga r>N in (1<arrow>right</arrow>6)-linkage with <stereo>myo</stereo>-inositol. ChEBI CHEBI:61825
      A glycoside comprising the linear pentasaccharide alpha-Galp(1->3)-beta-Galf-(1->3)-alpha-Manp-(1->3)-alpha-Manp-(1->4)-alpha-GlcpN in (1->6)-linkage with myo-inositol. ChEBI CHEBI:61825
      A glycoside comprising the linear pentasaccharide alpha-Galp(1right3)-beta-Galf-(1right3)-; alpha-Manp-(1right3)-alpha-Manp-(1right4)-alpha-GlcpN in (1right6)-linkage with myo-inositol. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61825

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1318.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 223.2±6.0 kJ/mol
Flash Point: 751.1±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 207.6±0.4 cm3
#H bond acceptors: 31
#H bond donors: 22
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -5.28
ACD/LogD (pH 5.5): -9.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 523 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 137.4±5.0 dyne/cm
Molar Volume: 527.4±5.0 cm3

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