ChemSpider 2D Image | 2-Acetamido-2-deoxy-4-O-alpha-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-D-glucopyranose | C14H21NO15S

2-Acetamido-2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-D-glucopyranose

  • Molecular FormulaC14H21NO15S
  • Average mass475.379 Da
  • Monoisotopic mass475.063202 Da
  • ChemSpider ID88294562

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-6-O-sulfo-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-4-O-α-L-thréo-hex-4-énopyranuronosyl-6-O-sulfo-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-(acetylamino)-2-deoxy-4-O-α-L-threo-hex-4-enopyranuronosyl-, 6-(hydrogen sulfate) [ACD/Index Name]
(2R,3R,4R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
missing
WURCS=2.0/2,2,1/[a2122h-1x1-52*NCC/3=O6*OSO/3=O/3=O][a21EEA-1a1-5]/1-2/a4-b1
  • Miscellaneous

    • Chemical Class:

      An oligosaccharide sufate consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. ChEBI CHEBI:148840

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 118.6±5.0 dyne/cm
Molar Volume: 246.8±5.0 cm3

Click to predict properties on the Chemicalize site


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