ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-galactopyranose | C14H23NO15S

2-Acetamido-2-deoxy-3-O-(2-O-sulfo-α-L-idopyranuronosyl)-D-galactopyranose

  • Molecular FormulaC14H23NO15S
  • Average mass477.395 Da
  • Monoisotopic mass477.078827 Da
  • ChemSpider ID88294581

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-(2-O-sulfo-α-L-idopyranuronosyl)-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-(2-O-sulfo-α-L-idopyranuronosyl)-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-(2-O-sulfo-α-L-idopyranuronosyl)-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-(2-O-sulfo-α-L-idopyranuronosyl)- [ACD/Index Name]
(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
2-O-sulfo-α-L-ido-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
missing
WURCS=2.0/2,2,1/[a2112h-1x1-52*NCC/3=O][a2121A-1a1-52*OSO/3=O/3=O]/1-2/a3-b1
  • Miscellaneous

    • Chemical Class:

      An amino disaccharide consisting of 2-O-sulfo-alpha-L-idopyranuronic acid and 2-acetamido-D-galatopyranose residues joined by a (1->3) glycosidic bond. ChEBI CHEBI:149013

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: 1.650
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

Click to predict properties on the Chemicalize site


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