ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-alpha-D-galactopyranosyl-D-galactitol | C14H27NO11

2-Acetamido-2-deoxy-3-O-α-D-galactopyranosyl-D-galactitol

  • Molecular FormulaC14H27NO11
  • Average mass385.364 Da
  • Monoisotopic mass385.158417 Da
  • ChemSpider ID128434207

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-α-D-galactopyranosyl-D-galactitol [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-α-D-galactopyranosyl-D-galactitol [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-α-D-galactopyranosyl-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 2-(acetylamino)-2-deoxy-3-O-α-D-galactopyranosyl- [ACD/Index Name]
missing
N-[(2S,3R,4S,5R)-1,4,5,6-tetrahydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
WURCS=2.0/2,2,1/[h2112h2*NCC/3=O][a2112h-1a1-5]/1-2/a3-b1
  • Miscellaneous

    • Chemical Class:

      A glycosyl alditol derivative that is N-acetyl-D-galactosaminitol in which the hydroxy group at position 3 has been glycosylated by an alpha-D-galactopyranosyl group. ChEBI CHEBI:153009

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

Density: 1.6±0.1 g/cm3
Boiling Point: 862.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.5±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 242.6±5.0 cm3

Click to predict properties on the Chemicalize site


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