ChemSpider 2D Image | 2-Amino-2-deoxyhexopyranosyl-(1->4)-2-amino-2-deoxyhexopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxyhexitol | C20H37N3O13

2-Amino-2-deoxyhexopyranosyl-(1->4)-2-amino-2-deoxyhexopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxyhexitol

  • Molecular FormulaC20H37N3O13
  • Average mass527.520 Da
  • Monoisotopic mass527.232666 Da
  • ChemSpider ID29789065

More details:

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

2-Amino-2-deoxyhexopyranosyl-(1->4)-2-amino-2-deoxyhexopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxyhexitol [ACD/IUPAC Name]
2-Amino-2-desoxyhexopyranosyl-(1->4)-2-amino-2-desoxyhexopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-desoxyhexitol [German] [ACD/IUPAC Name]
2-Amino-2-désoxyhexopyranosyl-(1->4)-2-amino-2-désoxyhexopyranosyl-(1->4)-2-acétamido-1,5-anhydro-2-désoxyhexitol [French] [ACD/IUPAC Name]
Hexitol, O--2-amino-2-deoxyhexopyranosyl-(1->4)-O--2-amino-2-deoxyhexopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.5±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -7.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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