ChemSpider 2D Image | 2-Amino-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose | C20H37N3O14

2-Amino-2-deoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC20H37N3O14
  • Average mass543.519 Da
  • Monoisotopic mass543.227539 Da
  • ChemSpider ID2340540

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-Amino-2-deoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Amino-2-desoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
138430-54-3 [RN]
2-Amino-2-deoxyglucopyranosyl-1-4-2-amino-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranoside
D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
D-GLUCOSE,O-2-AMINO-2-DEOXY-SS-D-GLUCOPYRANOSYL-(1-4)-O-2-AMINO-2-DEOXY-SS-D-GLUCOPYRANOSYL-(1-4)-2-(ACETYLAMINO)-2-DEOXY-
Glcn-glcn-glcnac (chito)
N-[(2R,3R,4S,5R)-3,4-bis[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hy droxymethyl)oxan-2-yl]oxy]-5,

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

Density: 1.6±0.1 g/cm3
Boiling Point: 982.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.3±6.0 kJ/mol
Flash Point: 547.8±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -6.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 339.4±5.0 cm3

Click to predict properties on the Chemicalize site


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