ChemSpider 2D Image | chondroitin disaccharide ?di-4s | C14H21NO14S

chondroitin disaccharide ?di-4s

  • Molecular FormulaC14H21NO14S
  • Average mass459.380 Da
  • Monoisotopic mass459.068268 Da
  • ChemSpider ID52084538

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-4-O-sulfo-D-galactose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-(4-desoxy-α-L-threo-hex-4-enopyranuronosyl)-4-O-sulfo-D-galactose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-(4-désoxy-α-L-thréo-hex-4-énopyranuronosyl)-4-O-sulfo-D-galactose [French] [ACD/IUPAC Name]
51449-07-1 [RN]
chondroitin disaccharide ?di-4s
D-Galactose, 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-, 4-(hydrogen sulfate) [ACD/Index Name]
CHONDROITIN DISACCHARIDE δDI-4S

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

5N9SPD8HFZ [DBID]
UNII:5N9SPD8HFZ [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -6.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 258.8±5.0 cm3

Click to predict properties on the Chemicalize site


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