ChemSpider 2D Image | beta-D-GalNAc-(1->3)-D-Gal | C14H25NO11

β-D-GalNAc-(1->3)-D-Gal

  • Molecular FormulaC14H25NO11
  • Average mass383.348 Da
  • Monoisotopic mass383.142761 Da
  • ChemSpider ID26331869

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

3-O-(2-Acetamido-2-deoxy-β-D-galactopyranosyl)-D-galactopyranose [ACD/IUPAC Name]
3-O-(2-Acetamido-2-desoxy-β-D-galactopyranosyl)-D-galactopyranose [German] [ACD/IUPAC Name]
3-O-(2-Acétamido-2-désoxy-β-D-galactopyranosyl)-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, 3-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]- [ACD/Index Name]
β-D-GalNAc-(1->3)-D-Gal
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-D-galactopyranose
3-O-(2-ACETAMIDO-2-DEOXY-β-GALACTOPYRANOSYL)-D-GALACTOPYRANOSIDE
GalNAcbeta1-3Gal
missing
WURCS=2.0/2,2,1/[a2112h-1x1-5][a2112h-1b1-5_2*NCC/3=O]/1-2/a3-b1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:60298 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glycosylgalactose derivative consisting of <stereo>D</stereo>-galactose having a <stereo>beta</stereo>-<stereo>D</stereo>-<element>N</element>-acetylgalactosaminyl residue attached at the 3-position . ChEBI CHEBI:60298
      A glycosylgalactose derivative consisting of D-galactose having a beta-D-N-acetylgalactosaminyl residue attached at the 3-position. ChEBI CHEBI:60298
      A glycosylgalactose derivative consisting of D-galactose having a beta-D-N-acetylgalactosaminyl residue attached at the 3-position; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60298

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

Density: 1.6±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 233.1±5.0 cm3

Click to predict properties on the Chemicalize site


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