ChemSpider 2D Image | 4,6-Diamino-3-{[3-amino-6-(butyrylamino)-3,6-dideoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside | C22H44N6O10

4,6-Diamino-3-{[3-amino-6-(butyrylamino)-3,6-dideoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside

  • Molecular FormulaC22H44N6O10
  • Average mass552.619 Da
  • Monoisotopic mass552.311890 Da
  • ChemSpider ID23131912

More details:

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

2,6-Diamino-2,6-didésoxyhexopyranoside de 4,6-diamino-3-{[3-amino-6-(butyrylamino)-3,6-didésoxyhexopyranosyl]oxy}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
4,6-diamino-3-{[3-amino-6-(butanoylamino)-3,6-dideoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside
4,6-Diamino-3-{[3-amino-6-(butyrylamino)-3,6-dideoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside [ACD/IUPAC Name]
4,6-Diamino-3-{[3-amino-6-(butyrylamino)-3,6-didesoxyhexopyranosyl]oxy}-2-hydroxycyclohexyl-2,6-diamino-2,6-didesoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 4,6-diamino-3-[[3-amino-3,6-dideoxy-6-[(1-oxobutyl)amino]hexopyranosyl]oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
N-{4-Amino-6-[4,6-diamino-3-(3-amino-6-aminomethyl-4,5-dihydroxy-tetrahydro-pyran-2-yloxy)-2-hydroxy-cyclohexyloxy]-3,5-dihydroxy-tetrahydro-pyran-2-ylmethyl}-butyramide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 878.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.0±6.0 kJ/mol
Flash Point: 485.0±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 16
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -10.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 375.1±5.0 cm3

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