ChemSpider 2D Image | 3-(4-{3-[(2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxypropyl}-1-piperazinyl)-2-hydroxypropyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | C22H46N6O10

3-(4-{3-[(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl}-1-piperazinyl)-2-hydroxypropyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside

  • Molecular FormulaC22H46N6O10
  • Average mass554.635 Da
  • Monoisotopic mass554.327515 Da
  • ChemSpider ID23207570

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

2,6-Diamino-2,6-didésoxy-α-D-glucopyranoside de 3-(4-{3-[(2,6-diamino-2,6-didésoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl}-1-pipérazinyl)-2-hydroxypropyle [French] [ACD/IUPAC Name]
3-(4-{3-[(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl}-1-piperazinyl)-2-hydroxypropyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
3-(4-{3-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl}piperazin-1-yl)-2-hydroxypropyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
3-(4-{3-[(2,6-Diamino-2,6-didesoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl}-1-piperazinyl)-2-hydroxypropyl-2,6-diamino-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, 3-[4-[3-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxypropyl]-1-piperazinyl]-2-hydroxypropyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
5-amino-6-(3-{4-[3-(3-amino-6-aminomethyl-4,5-dihydroxytetrahydro-2H-2-pyranyloxy)-2-hydroxypropyl]hexahydro-1-pyrazinyl}-2-hydroxypropoxy)-2-aminomethyltetrahydro-2H-3,4-pyrandiol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 831.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 456.9±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -10.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


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