ChemSpider 2D Image | 2-Amino-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)]-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->5)]-2-amino-2-deoxy-D-glucose | C24H46N4O17

2-Amino-2-deoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->5)]-2-amino-2-deoxy-D-glucose

  • Molecular FormulaC24H46N4O17
  • Average mass662.639 Da
  • Monoisotopic mass662.285767 Da
  • ChemSpider ID2338367

  • defined stereocentres - 19 of 19 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-amino-2-deoxy-β-D-glucopyranosyl-(1->5)]-2-amino-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-amino-2-desoxy-β-D-glucopyranosyl-(1->5)]-2-amino-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-amino-2-désoxy-β-D-glucopyranosyl-(1->5)]-2-amino-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)]-O-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->5)]-2-amino-2-deoxy- [ACD/Index Name]
26539-16-2 [RN]
5567-52-2 [RN]
Chitintetraose
Chitotetraose
Chitotetrose
D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1-4)-2-amino-2-deoxy-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1053.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.5±6.0 kJ/mol
Flash Point: 590.6±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 18
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -7.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 379 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 109.8±5.0 dyne/cm
Molar Volume: 396.8±5.0 cm3

Click to predict properties on the Chemicalize site


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