ChemSpider 2D Image | 2,6-Diamino-2,6-dideoxy-4-O-(4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl)hexopyranose | C23H46N6O13

2,6-Diamino-2,6-dideoxy-4-O-(4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl)hexopyranose

  • Molecular FormulaC23H46N6O13
  • Average mass614.644 Da
  • Monoisotopic mass614.312256 Da
  • ChemSpider ID4407046

More details:






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

2,6-Diamino-2,6-dideoxy-4-O-(4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl)hexopyranose [ACD/IUPAC Name]
2,6-Diamino-2,6-didesoxy-4-O-(4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didesoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl)hexopyranose [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-4-O-(4,6-diamino-2-{[3-O-(2,6-diamino-2,6-didésoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2,6-diamino-2,6-dideoxy-4-O-[4,6-diamino-2-[[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy]-3-hydroxycyclohexyl]- [ACD/Index Name]
4583-05-5 [RN]
5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[5-amino-2-(aminomethyl)-4,6-dihydroxyoxan-3-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 943.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.7±6.0 kJ/mol
Flash Point: 524.4±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 19
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.79
ACD/LogD (pH 5.5): -12.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

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