ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-alpha-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-beta-D-galactopyranose | C14H21NO15S

2-Acetamido-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-β-D-galactopyranose

  • Molecular FormulaC14H21NO15S
  • Average mass475.379 Da
  • Monoisotopic mass475.063202 Da
  • ChemSpider ID88294248

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-β-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-β-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-α-L-thréo-hex-4-énopyranuronosyl-4-O-sulfo-β-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-α-L-threo-hex-4-enopyranuronosyl-, 4-(hydrogen sulfate) [ACD/Index Name]
(2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
missing
WURCS=2.0/2,2,1/[a2112h-1b1-52*NCC/3=O4*OSO/3=O/3=O][a21EEA-1a1-5]/1-2/a3-b1
  • Miscellaneous

    • Chemical Class:

      A Delta(4)-beta-D-GlcpA-(1->3)-D-GalpNAc4S in which the the carbon bearing the anomeric hydroxy group has beta- configuration. ChEBI CHEBI:146580

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: -0.95
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
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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